2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide

C10H18N4O — CID 112723457

IUPAC2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccn(C)n1
InChIInChI=1S/C10H18N4O/c1-4-6-11-10(15)8(2)12-9-5-7-14(3)13-9/h5,7-8H,4,6H2,1-3H3,(H,11,15)(H,12,13)
InChIKeyIGEGCEJSWNSSFY-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.75
Rot. Bonds5

About 2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide

2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide (PubChem CID 112723457) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide
PubChem CID112723457
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)Nc1ccn(C)n1
InChIInChI=1S/C10H18N4O/c1-4-6-11-10(15)8(2)12-9-5-7-14(3)13-9/h5,7-8H,4,6H2,1-3H3,(H,11,15)(H,12,13)
InChIKeyIGEGCEJSWNSSFY-UHFFFAOYSA-N
XLogP0.75
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(butan-2-yl)-1H-pyrazol-5-yl]-2-chloropropanamide
CID 5018500
2-(3-amino-1H-pyrazol-1-yl)acetamide
CID 45791969
1-Butyl-3-(1-methylpyrazol-3-yl)urea
CID 2807715
2-(3-amino-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 47003138
2-(3-amino-1H-pyrazol-1-yl)-N-methylacetamide
CID 60783095
N-(1-ethyl-1H-pyrazol-3-yl)acetamide
CID 68075151
N-(2-Aminoethyl)-1-methyl-1H-pyrazol-3-amine
CID 84076076
2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 45800016
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 46981191
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 53532059
N-[2-[[1-(2-methoxyethyl)pyrazol-3-yl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 53557992
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 56811009

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide (CID 112723457) is 2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide is CCCNC(=O)C(C)Nc1ccn(C)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide?
The InChIKey is IGEGCEJSWNSSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-6-11-10(15)8(2)12-9-5-7-14(3)13-9/h5,7-8H,4,6H2,1-3H3,(H,11,15)(H,12,13).
What are the key properties of 2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide?
2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide has a molecular weight of 210.28 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 112723457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).