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

C13H19N5O — CID 19555904

IUPACN-[(1-ethylpyrazol-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCCn1ccc(CNC(=O)CCn2ccc(C)n2)n1
InChIInChI=1S/C13H19N5O/c1-3-17-8-5-12(16-17)10-14-13(19)6-9-18-7-4-11(2)15-18/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,14,19)
InChIKeyXJVIYTGVDOVZNA-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.11
Rot. Bonds6

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

N-[(1-ethylpyrazol-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 19555904) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID19555904
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(1-ethylpyrazol-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCCn1ccc(CNC(=O)CCn2ccc(C)n2)n1
InChIInChI=1S/C13H19N5O/c1-3-17-8-5-12(16-17)10-14-13(19)6-9-18-7-4-11(2)15-18/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,14,19)
InChIKeyXJVIYTGVDOVZNA-UHFFFAOYSA-N
XLogP1.11
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.11
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 N-[(1-ethylpyrazol-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(1-ethylpyrazol-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide (CID 19555904) is N-[(1-ethylpyrazol-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(1-ethylpyrazol-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(1-ethylpyrazol-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide is CCn1ccc(CNC(=O)CCn2ccc(C)n2)n1.
What is the InChIKey of N-[(1-ethylpyrazol-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is XJVIYTGVDOVZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-17-8-5-12(16-17)10-14-13(19)6-9-18-7-4-11(2)15-18/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,14,19).
What are the key properties of N-[(1-ethylpyrazol-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[(1-ethylpyrazol-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 261.33 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-3-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19555904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).