2-(carbamoylamino)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide

C10H17N5O2 — CID 43430108

IUPAC2-(carbamoylamino)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H17N5O2/c1-6(2)3-8(15-10(11)17)9(16)14-7-4-12-13-5-7/h4-6,8H,3H2,1-2H3,(H,12,13)(H,14,16)(H3,11,15,17)
InChIKeyFTPBDSQSSNMAJM-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.43
Rot. Bonds5

About 2-(carbamoylamino)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide

2-(carbamoylamino)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide (PubChem CID 43430108) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-(carbamoylamino)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide
PubChem CID43430108
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name2-(carbamoylamino)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C10H17N5O2/c1-6(2)3-8(15-10(11)17)9(16)14-7-4-12-13-5-7/h4-6,8H,3H2,1-2H3,(H,12,13)(H,14,16)(H3,11,15,17)
InChIKeyFTPBDSQSSNMAJM-UHFFFAOYSA-N
XLogP0.43
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide?
The IUPAC name of 2-(carbamoylamino)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide (CID 43430108) is 2-(carbamoylamino)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide.
What is the SMILES notation for 2-(carbamoylamino)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide?
The canonical SMILES for 2-(carbamoylamino)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide is CC(C)CC(NC(N)=O)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-(carbamoylamino)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide?
The InChIKey is FTPBDSQSSNMAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-6(2)3-8(15-10(11)17)9(16)14-7-4-12-13-5-7/h4-6,8H,3H2,1-2H3,(H,12,13)(H,14,16)(H3,11,15,17).
What are the key properties of 2-(carbamoylamino)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide?
2-(carbamoylamino)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide has a molecular weight of 239.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-4-methyl-N-(1H-pyrazol-4-yl)pentanamide is sourced from PubChem (CID 43430108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).