3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide

C17H26N4O2 — CID 71921234

IUPAC3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide
SMILESCn1ncc(CNC(=O)CCC2CC2)c1NC(=O)CCC1CC1
InChIInChI=1S/C17H26N4O2/c1-21-17(20-16(23)9-7-13-4-5-13)14(11-19-21)10-18-15(22)8-6-12-2-3-12/h11-13H,2-10H2,1H3,(H,18,22)(H,20,23)
InChIKeyWEAGIBSFOBPWPF-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.36
Rot. Bonds9

About 3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide

3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide (PubChem CID 71921234) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide
PubChem CID71921234
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide
SMILESCn1ncc(CNC(=O)CCC2CC2)c1NC(=O)CCC1CC1
InChIInChI=1S/C17H26N4O2/c1-21-17(20-16(23)9-7-13-4-5-13)14(11-19-21)10-18-15(22)8-6-12-2-3-12/h11-13H,2-10H2,1H3,(H,18,22)(H,20,23)
InChIKeyWEAGIBSFOBPWPF-UHFFFAOYSA-N
XLogP2.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide
CID 106033595
3-cyclopentyl-N-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]propanamide
CID 122274054
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-3-ylacetamide
CID 106047419
3-cyclopentyl-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110902468
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-piperidin-4-ylpropanamide
CID 115989866
3-cyclopentyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 39855016
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
N-[[7-[(3-cyclopropylpropanoylamino)methyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 166825449
N-[(4-fluorophenyl)methyl]-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
CID 25451605
3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
1-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622573
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide
CID 97146849

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide?
The IUPAC name of 3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide (CID 71921234) is 3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide.
What is the SMILES notation for 3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide?
The canonical SMILES for 3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide is Cn1ncc(CNC(=O)CCC2CC2)c1NC(=O)CCC1CC1.
What is the InChIKey of 3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide?
The InChIKey is WEAGIBSFOBPWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-21-17(20-16(23)9-7-13-4-5-13)14(11-19-21)10-18-15(22)8-6-12-2-3-12/h11-13H,2-10H2,1H3,(H,18,22)(H,20,23).
What are the key properties of 3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide?
3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[[5-(3-cyclopropylpropanoylamino)-1-methylpyrazol-4-yl]methyl]propanamide is sourced from PubChem (CID 71921234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).