methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate

C14H21N3O3 — CID 47158124

IUPACmethyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H21N3O3/c1-8(2)6-12(14(19)20-3)15-13(18)11-7-10(16-17-11)9-4-5-9/h7-9,12H,4-6H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyZMRPSOSBZMFFEU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.60
Rot. Bonds6

About methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate

methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate (PubChem CID 47158124) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate
PubChem CID47158124
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C14H21N3O3/c1-8(2)6-12(14(19)20-3)15-13(18)11-7-10(16-17-11)9-4-5-9/h7-9,12H,4-6H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyZMRPSOSBZMFFEU-UHFFFAOYSA-N
XLogP1.60
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-(1-hydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 146085389
5-cyclopropyl-N-(1-cyclopropylethyl)-1H-pyrazole-3-carboxamide
CID 47158112
5-cyclopropyl-N-[(2S)-1-[di(propan-2-yl)amino]propan-2-yl]-1H-pyrazole-3-carboxamide
CID 51853296
5-cyclopropyl-N-[(1R)-1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 126448270
N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119495448
5-cyclopropyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 47161141
methyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoate
CID 51302326
methyl 4-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]pentanoate
CID 43407271
5-cyclopropyl-N-(1-naphthalen-1-ylethyl)-1H-pyrazole-3-carboxamide
CID 46577659
methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate
CID 71087876
5-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 43057191
methyl (2S)-2-[[1-(azetidin-3-yl)triazole-4-carbonyl]amino]-4-methylpentanoate
CID 103954754

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate (CID 47158124) is methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate?
The InChIKey is ZMRPSOSBZMFFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8(2)6-12(14(19)20-3)15-13(18)11-7-10(16-17-11)9-4-5-9/h7-9,12H,4-6H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate?
methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate has a molecular weight of 279.34 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-cyclopropyl-1H-pyrazole-3-carbonyl)amino]-4-methylpentanoate is sourced from PubChem (CID 47158124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).