N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide

C15H22N6O3 — CID 95618087

IUPACN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)N[C@H](C)Cn2nc(C)cc2C)c1[N+](=O)[O-]
InChIInChI=1S/C15H22N6O3/c1-5-6-12-14(21(23)24)13(18-17-12)15(22)16-10(3)8-20-11(4)7-9(2)19-20/h7,10H,5-6,8H2,1-4H3,(H,16,22)(H,17,18)/t10-/m1/s1
InChIKeyGMEHGCBSTQJOMH-SNVBAGLBSA-N
MW334.38 g/mol
LogP1.90
Rot. Bonds7

About N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide

N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 95618087) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID95618087
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC NameN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)N[C@H](C)Cn2nc(C)cc2C)c1[N+](=O)[O-]
InChIInChI=1S/C15H22N6O3/c1-5-6-12-14(21(23)24)13(18-17-12)15(22)16-10(3)8-20-11(4)7-9(2)19-20/h7,10H,5-6,8H2,1-4H3,(H,16,22)(H,17,18)/t10-/m1/s1
InChIKeyGMEHGCBSTQJOMH-SNVBAGLBSA-N
XLogP1.90
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 119350056
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 157012975
N-[2-(methylamino)ethyl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide
CID 119503128
(5S)-5-tert-butyl-N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 51597580
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
5-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19496063
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 95850098
4-[(4-nitro-5-propyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 119352511
methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate
CID 56789428
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974
4-nitro-5-propyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119513392

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide (CID 95618087) is N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)N[C@H](C)Cn2nc(C)cc2C)c1[N+](=O)[O-].
What is the InChIKey of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is GMEHGCBSTQJOMH-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22N6O3/c1-5-6-12-14(21(23)24)13(18-17-12)15(22)16-10(3)8-20-11(4)7-9(2)19-20/h7,10H,5-6,8H2,1-4H3,(H,16,22)(H,17,18)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide?
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-nitro-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95618087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).