N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide

C14H22N4O — CID 129401167

IUPACN-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
SMILESCn1cc(CC(=O)N(C[C@@H]2CCCN2)C2CC2)cn1
InChIInChI=1S/C14H22N4O/c1-17-9-11(8-16-17)7-14(19)18(13-4-5-13)10-12-3-2-6-15-12/h8-9,12-13,15H,2-7,10H2,1H3/t12-/m0/s1
InChIKeyFIPQENPWXSMASG-LBPRGKRZSA-N
MW262.36 g/mol
LogP0.71
Rot. Bonds5

About N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide

N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide (PubChem CID 129401167) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
PubChem CID129401167
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
SMILESCn1cc(CC(=O)N(C[C@@H]2CCCN2)C2CC2)cn1
InChIInChI=1S/C14H22N4O/c1-17-9-11(8-16-17)7-14(19)18(13-4-5-13)10-12-3-2-6-15-12/h8-9,12-13,15H,2-7,10H2,1H3/t12-/m0/s1
InChIKeyFIPQENPWXSMASG-LBPRGKRZSA-N
XLogP0.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-4-yl)-4-piperidin-2-ylbutan-2-one
CID 116563728
2-(4-bromophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974020
2-(1-methylpyrazol-4-yl)-N-piperidin-4-yl-N-propylacetamide
CID 119823248
N-cyclopropyl-2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626819
N-cyclopropyl-2-(2-hydroxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106599402
3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119513351
N-cyclopropyl-2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974150
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 104974211
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119770919
N-cyclopropyl-N-(piperidin-2-ylmethyl)-3-pyridin-4-ylpropanamide
CID 106626977
N,N-di(butan-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 86795405

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide (CID 129401167) is N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide is Cn1cc(CC(=O)N(C[C@@H]2CCCN2)C2CC2)cn1.
What is the InChIKey of N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is FIPQENPWXSMASG-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O/c1-17-9-11(8-16-17)7-14(19)18(13-4-5-13)10-12-3-2-6-15-12/h8-9,12-13,15H,2-7,10H2,1H3/t12-/m0/s1.
What are the key properties of N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide?
N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 262.36 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 129401167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).