N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide

C10H12N6O3 — CID 79524187

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide
SMILESCn1ncc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1N
InChIInChI=1S/C10H12N6O3/c1-15-9(11)6(4-14-15)3-13-10(17)8-2-7(5-12-8)16(18)19/h2,4-5,12H,3,11H2,1H3,(H,13,17)
InChIKeyACXQSHIYGSAQIU-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.17
Rot. Bonds4

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide (PubChem CID 79524187) has the molecular formula C10H12N6O3 and a molecular weight of 264.24 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide
PubChem CID79524187
Molecular FormulaC10H12N6O3
Molecular Weight264.24 g/mol
Exact Mass264.10
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide
SMILESCn1ncc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1N
InChIInChI=1S/C10H12N6O3/c1-15-9(11)6(4-14-15)3-13-10(17)8-2-7(5-12-8)16(18)19/h2,4-5,12H,3,11H2,1H3,(H,13,17)
InChIKeyACXQSHIYGSAQIU-UHFFFAOYSA-N
XLogP0.17
TPSA131.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.17
H-Bond Donors ≤ 53
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

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-chloro-5-nitrobenzamide
CID 79531298
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 79523487
1-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-(3-nitrophenyl)urea
CID 79529135
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-methyl-2-nitrobenzamide
CID 79531428
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-2-chloro-6-nitrobenzamide
CID 79531423
methyl 2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]acetate
CID 43408669
N-(2-aminobutyl)-4-nitro-1H-pyrrole-2-carboxamide
CID 63731145
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-methylbenzamide
CID 79523593
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-2-carboxamide
CID 79523767
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-1H-indole-6-carboxamide
CID 79523236
N-(3-chloro-2,2-dimethylpropyl)-4-nitro-1H-pyrrole-2-carboxamide
CID 115364680
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 106032760

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide (CID 79524187) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide is Cn1ncc(CNC(=O)c2cc([N+](=O)[O-])c[nH]2)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide?
The InChIKey is ACXQSHIYGSAQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O3/c1-15-9(11)6(4-14-15)3-13-10(17)8-2-7(5-12-8)16(18)19/h2,4-5,12H,3,11H2,1H3,(H,13,17).
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide has a molecular weight of 264.24 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-4-nitro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 79524187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).