2-(carbamoylamino)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide

C12H21N5O2 — CID 54896475

IUPAC2-(carbamoylamino)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
SMILESCc1[nH]ncc1CNC(=O)C(CC(C)C)NC(N)=O
InChIInChI=1S/C12H21N5O2/c1-7(2)4-10(16-12(13)19)11(18)14-5-9-6-15-17-8(9)3/h6-7,10H,4-5H2,1-3H3,(H,14,18)(H,15,17)(H3,13,16,19)
InChIKeySGZSKXMHNZLUKV-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.42
Rot. Bonds6

About 2-(carbamoylamino)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide

2-(carbamoylamino)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide (PubChem CID 54896475) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(carbamoylamino)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
PubChem CID54896475
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-(carbamoylamino)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
SMILESCc1[nH]ncc1CNC(=O)C(CC(C)C)NC(N)=O
InChIInChI=1S/C12H21N5O2/c1-7(2)4-10(16-12(13)19)11(18)14-5-9-6-15-17-8(9)3/h6-7,10H,4-5H2,1-3H3,(H,14,18)(H,15,17)(H3,13,16,19)
InChIKeySGZSKXMHNZLUKV-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 53607259
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-N-propan-2-ylacetamide
CID 43663763
2-methyl-1-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 43747825
1-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]azepan-2-one
CID 56817425
2-Methyl-N-((3-methyl-1h-pyrazol-4-yl)methyl)pentanamide
CID 60767988
methyl 3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 71933304
N',N'-diethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanediamide
CID 75425496
N~2~-acetyl-N~1~-methyl-N~1~-(1H-pyrazol-3-ylmethyl)norvalinamide
CID 86287249
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]azepan-2-one
CID 86808383
N-tert-butyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetamide
CID 86808840
(8aS)-2-[(5-methyl-1H-pyrazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 99797410
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide?
The IUPAC name of 2-(carbamoylamino)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide (CID 54896475) is 2-(carbamoylamino)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide.
What is the SMILES notation for 2-(carbamoylamino)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide?
The canonical SMILES for 2-(carbamoylamino)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide is Cc1[nH]ncc1CNC(=O)C(CC(C)C)NC(N)=O.
What is the InChIKey of 2-(carbamoylamino)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide?
The InChIKey is SGZSKXMHNZLUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-7(2)4-10(16-12(13)19)11(18)14-5-9-6-15-17-8(9)3/h6-7,10H,4-5H2,1-3H3,(H,14,18)(H,15,17)(H3,13,16,19).
What are the key properties of 2-(carbamoylamino)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide?
2-(carbamoylamino)-4-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide has a molecular weight of 267.33 g/mol, XLogP of 0.42, 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-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 54896475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).