2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide

C13H24N4O — CID 62038992

IUPAC2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
SMILESCc1[nH]ncc1CCCNC(=O)C(CN)C(C)C
InChIInChI=1S/C13H24N4O/c1-9(2)12(7-14)13(18)15-6-4-5-11-8-16-17-10(11)3/h8-9,12H,4-7,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyNASUWKFBTOBIAL-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.00
Rot. Bonds7

About 2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide

2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide (PubChem CID 62038992) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
PubChem CID62038992
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
SMILESCc1[nH]ncc1CCCNC(=O)C(CN)C(C)C
InChIInChI=1S/C13H24N4O/c1-9(2)12(7-14)13(18)15-6-4-5-11-8-16-17-10(11)3/h8-9,12H,4-7,14H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyNASUWKFBTOBIAL-UHFFFAOYSA-N
XLogP1.00
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyano-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 62040285
3-amino-4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-4-oxobutanoic acid
CID 64894782
2-[2-(aminomethyl)phenyl]-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 81312582
2-amino-4-methoxy-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide
CID 55080724
2-(2-aminophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62040874
3-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 62040744
1-(aminomethyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclopentane-1-carboxamide
CID 62038572
4-amino-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 62038962
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2H-triazole-4-carboxamide
CID 78924905
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 79004761
(2R)-3-hydroxy-2-[3-(5-methyl-1H-pyrazol-4-yl)propylcarbamoylamino]propanoic acid
CID 80756757
2-cyano-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-phenylacetamide
CID 62878662

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide (CID 62038992) is 2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide is Cc1[nH]ncc1CCCNC(=O)C(CN)C(C)C.
What is the InChIKey of 2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide?
The InChIKey is NASUWKFBTOBIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(2)12(7-14)13(18)15-6-4-5-11-8-16-17-10(11)3/h8-9,12H,4-7,14H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide?
2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide has a molecular weight of 252.36 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]butanamide is sourced from PubChem (CID 62038992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).