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

C12H21N5O2 — CID 103857035

IUPAC2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C12H21N5O2/c1-7(2)4-10(17-12(13)19)11(18)16-8(3)9-5-14-15-6-9/h5-8,10H,4H2,1-3H3,(H,14,15)(H,16,18)(H3,13,17,19)
InChIKeyQECPXBRWJJCZSC-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.67
Rot. Bonds6

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

2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide (PubChem CID 103857035) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
PubChem CID103857035
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
SMILESCC(C)CC(NC(N)=O)C(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C12H21N5O2/c1-7(2)4-10(17-12(13)19)11(18)16-8(3)9-5-14-15-6-9/h5-8,10H,4H2,1-3H3,(H,14,15)(H,16,18)(H3,13,17,19)
InChIKeyQECPXBRWJJCZSC-UHFFFAOYSA-N
XLogP0.67
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212688
5-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212676
3-chloro-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106211094
2-(aminomethyl)-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212884
(2S)-2-amino-3-phenyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212809
5-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212776
2-[2-(aminomethyl)phenyl]-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 106212825
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-2-thiophen-2-ylacetamide
CID 106212701
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
3-amino-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 106212730
(2S)-2-amino-3-methyl-N-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethyl]butanamide
CID 106212905
methyl 2-[1-(1H-pyrazol-4-yl)ethylamino]butanoate
CID 104953289

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide?
The IUPAC name of 2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide (CID 103857035) is 2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide.
What is the SMILES notation for 2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide?
The canonical SMILES for 2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide is CC(C)CC(NC(N)=O)C(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of 2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide?
The InChIKey is QECPXBRWJJCZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-7(2)4-10(17-12(13)19)11(18)16-8(3)9-5-14-15-6-9/h5-8,10H,4H2,1-3H3,(H,14,15)(H,16,18)(H3,13,17,19).
What are the key properties of 2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide?
2-(carbamoylamino)-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide has a molecular weight of 267.33 g/mol, XLogP of 0.67, 6 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-[1-(1H-pyrazol-4-yl)ethyl]pentanamide is sourced from PubChem (CID 103857035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).