1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide

C14H19N7O4 — CID 19396291

IUPAC1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)cnn1C
InChIInChI=1S/C14H19N7O4/c1-4-5-15-14(23)13-10(6-16-19(13)3)17-12(22)8-20-7-11(21(24)25)9(2)18-20/h6-7H,4-5,8H2,1-3H3,(H,15,23)(H,17,22)
InChIKeyZMASDFUWIAMFCF-UHFFFAOYSA-N
MW349.35 g/mol
LogP0.61
Rot. Bonds7

About 1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide

1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide (PubChem CID 19396291) has the molecular formula C14H19N7O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide
PubChem CID19396291
Molecular FormulaC14H19N7O4
Molecular Weight349.35 g/mol
Exact Mass349.15
IUPAC Name1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)cnn1C
InChIInChI=1S/C14H19N7O4/c1-4-5-15-14(23)13-10(6-16-19(13)3)17-12(22)8-20-7-11(21(24)25)9(2)18-20/h6-7H,4-5,8H2,1-3H3,(H,15,23)(H,17,22)
InChIKeyZMASDFUWIAMFCF-UHFFFAOYSA-N
XLogP0.61
TPSA136.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

methyl 1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]pyrazole-5-carboxylate
CID 19585111
1-[2-[[1-methyl-5-(propylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502712
3-(3-methyl-4-nitropyrazol-1-yl)-N-propylpropanamide
CID 19539837
4-[[2-(3-methoxy-4-nitropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19516421
N-hexyl-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522099
1-methyl-4-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]-N-propylpyrazole-5-carboxamide
CID 19396173
4-[[2-(4-chloro-5-methylpyrazol-1-yl)acetyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396300
N-(4-chloro-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522139
methyl 4-[[2-(4-bromo-3-methylpyrazol-1-yl)acetyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342118
N-(3-aminopropyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19621086
4-(cyclopropanecarbonylamino)-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396172
1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide
CID 4865439

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide (CID 19396291) is 1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide is CCCNC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)cnn1C.
What is the InChIKey of 1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide?
The InChIKey is ZMASDFUWIAMFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O4/c1-4-5-15-14(23)13-10(6-16-19(13)3)17-12(22)8-20-7-11(21(24)25)9(2)18-20/h6-7H,4-5,8H2,1-3H3,(H,15,23)(H,17,22).
What are the key properties of 1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide?
1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-(3-methyl-4-nitropyrazol-1-yl)acetyl]amino]-N-propylpyrazole-5-carboxamide is sourced from PubChem (CID 19396291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).