3-(3-methylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide

C12H17N5O — CID 19555830

IUPAC3-(3-methylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCc1ccn(CCC(=O)NCc2ccnn2C)n1
InChIInChI=1S/C12H17N5O/c1-10-4-7-17(15-10)8-5-12(18)13-9-11-3-6-14-16(11)2/h3-4,6-7H,5,8-9H2,1-2H3,(H,13,18)
InChIKeyRRKIHHBBRMQXQZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.63
Rot. Bonds5

About 3-(3-methylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide

3-(3-methylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide (PubChem CID 19555830) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(3-methylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-methylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
PubChem CID19555830
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name3-(3-methylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCc1ccn(CCC(=O)NCc2ccnn2C)n1
InChIInChI=1S/C12H17N5O/c1-10-4-7-17(15-10)8-5-12(18)13-9-11-3-6-14-16(11)2/h3-4,6-7H,5,8-9H2,1-2H3,(H,13,18)
InChIKeyRRKIHHBBRMQXQZ-UHFFFAOYSA-N
XLogP0.63
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 9563596
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
N,2,2-Trimethyl-N-[(1-methyl-1H-pyrazol-3-yl)methyl]butanamide
CID 121446735
N-[(2-ethylpyrazol-3-yl)methyl]cyclopropanecarboxamide
CID 19294477
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531231
N-(sec-butyl)-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 19555821
N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide
CID 35520991
N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 37393007
Ethane-1,2-diamine, N,N'-(1-methyl-5-pyrazolylcarbonyl)-
CID 573224
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide
CID 6499045

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(3-methylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide (CID 19555830) is 3-(3-methylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-methylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(3-methylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide is Cc1ccn(CCC(=O)NCc2ccnn2C)n1.
What is the InChIKey of 3-(3-methylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The InChIKey is RRKIHHBBRMQXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-10-4-7-17(15-10)8-5-12(18)13-9-11-3-6-14-16(11)2/h3-4,6-7H,5,8-9H2,1-2H3,(H,13,18).
What are the key properties of 3-(3-methylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
3-(3-methylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide has a molecular weight of 247.30 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrazol-1-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 19555830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).