N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide;hydrochloride

C18H29ClN4O2 — CID 154899007

IUPACN-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCOCCN1C[C@H](NC(=O)C2(Cn3cccn3)CC2)[C@@H](C2CC2)C1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-24-10-9-21-11-15(14-3-4-14)16(12-21)20-17(23)18(5-6-18)13-22-8-2-7-19-22;/h2,7-8,14-16H,3-6,9-13H2,1H3,(H,20,23);1H/t15-,16+;/m1./s1
InChIKeyKEVIUEYSJMBCJT-RCPFAERMSA-N
MW368.91 g/mol
LogP1.56
Rot. Bonds8

About N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide;hydrochloride

N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide;hydrochloride (PubChem CID 154899007) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
PubChem CID154899007
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
SMILESCOCCN1C[C@H](NC(=O)C2(Cn3cccn3)CC2)[C@@H](C2CC2)C1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-24-10-9-21-11-15(14-3-4-14)16(12-21)20-17(23)18(5-6-18)13-22-8-2-7-19-22;/h2,7-8,14-16H,3-6,9-13H2,1H3,(H,20,23);1H/t15-,16+;/m1./s1
InChIKeyKEVIUEYSJMBCJT-RCPFAERMSA-N
XLogP1.56
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S,4R)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-methylsulfanylpropanamide
CID 133112293
4-chloro-N-[(3S,4R)-4-cyclopropyl-1-(3-methoxypropyl)pyrrolidin-3-yl]-1-ethylpyrazole-5-carboxamide
CID 133123711
1-(pyrazol-1-ylmethyl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]cyclopropane-1-carboxamide
CID 91770277
N-[(3R,4S)-4-cyclopropyl-1-(2-ethoxyethyl)pyrrolidin-3-yl]-2-thiophen-3-ylacetamide;hydrochloride
CID 154898027
N-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110133031
N-[1-(2-methoxyethyl)piperidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939906
N-[(3R,4S)-4-cyclopropyl-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-3-ethoxypropanamide;hydrochloride
CID 154899379
methyl 1-(2-pyrazol-1-ylethyl)azetidine-2-carboxylate
CID 112581379
N-[(3R,4S)-4-cyclopropyl-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-3-yl]methanesulfonamide;hydrochloride
CID 154897828
N-[(3S,4R)-4-cyclopropyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-yl]-2-ethylpyrazole-3-carboxamide
CID 133110212
4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 156603463
1-N'-[(3R,4S)-4-cyclopropyl-1-[(5-propylfuran-2-yl)methyl]pyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride
CID 154899034

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide;hydrochloride (CID 154899007) is N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide;hydrochloride is COCCN1C[C@H](NC(=O)C2(Cn3cccn3)CC2)[C@@H](C2CC2)C1.Cl.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is KEVIUEYSJMBCJT-RCPFAERMSA-N. The full InChI is InChI=1S/C18H28N4O2.ClH/c1-24-10-9-21-11-15(14-3-4-14)16(12-21)20-17(23)18(5-6-18)13-22-8-2-7-19-22;/h2,7-8,14-16H,3-6,9-13H2,1H3,(H,20,23);1H/t15-,16+;/m1./s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide;hydrochloride?
N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 154899007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).