N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide

C17H22N4O3 — CID 120948333

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)NCC2CNCC2O)n1
InChIInChI=1S/C17H22N4O3/c1-11-3-4-16(24-2)14(7-11)21-6-5-13(20-21)17(23)19-9-12-8-18-10-15(12)22/h3-7,12,15,18,22H,8-10H2,1-2H3,(H,19,23)
InChIKeyGADNZRAZHJMKJI-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.50
Rot. Bonds5

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide (PubChem CID 120948333) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
PubChem CID120948333
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(C)cc1-n1ccc(C(=O)NCC2CNCC2O)n1
InChIInChI=1S/C17H22N4O3/c1-11-3-4-16(24-2)14(7-11)21-6-5-13(20-21)17(23)19-9-12-8-18-10-15(12)22/h3-7,12,15,18,22H,8-10H2,1-2H3,(H,19,23)
InChIKeyGADNZRAZHJMKJI-UHFFFAOYSA-N
XLogP0.50
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide
CID 119430412
N-[(1-hydroxycyclobutyl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 111445526
1-(2-methoxy-5-methylphenyl)-N-[2-(2-methoxyphenoxy)ethyl]pyrazole-3-carboxamide
CID 48652307
N-(2-hydroxyethyl)-1-(2-methoxy-5-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 110907831
N-(4-aminocyclohexyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 119475309
1-(2-methoxy-5-methylphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide
CID 86848010
N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 48650473
2-[[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]-methylamino]propanoic acid
CID 119209514
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide
CID 86848028
2-[cyclopropyl-[1-(2-methoxy-5-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 119195396
1-(2-methoxy-5-methylphenyl)-N-(2-phenylcyclopropyl)pyrazole-3-carboxamide
CID 48663196
[1-(2-methoxy-5-methylphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119543502

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide (CID 120948333) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide is COc1ccc(C)cc1-n1ccc(C(=O)NCC2CNCC2O)n1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide?
The InChIKey is GADNZRAZHJMKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-11-3-4-16(24-2)14(7-11)21-6-5-13(20-21)17(23)19-9-12-8-18-10-15(12)22/h3-7,12,15,18,22H,8-10H2,1-2H3,(H,19,23).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 120948333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).