3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine

C11H16N6O2 — CID 66027020

IUPAC3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NCc1ccn[nH]1
InChIInChI=1S/C11H16N6O2/c1-3-6-16-11(10(17(18)19)8(2)15-16)12-7-9-4-5-13-14-9/h4-5,12H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyPQFUJOZSMIXELT-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.84
Rot. Bonds6

About 3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine

3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine (PubChem CID 66027020) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine
PubChem CID66027020
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine
SMILESCCCn1nc(C)c([N+](=O)[O-])c1NCc1ccn[nH]1
InChIInChI=1S/C11H16N6O2/c1-3-6-16-11(10(17(18)19)8(2)15-16)12-7-9-4-5-13-14-9/h4-5,12H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyPQFUJOZSMIXELT-UHFFFAOYSA-N
XLogP1.84
TPSA101.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.84
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

N-benzyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013296
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]-4-nitro-1-propylpyrazol-5-amine
CID 82874401
3-methyl-4-nitro-1-propyl-N-(pyridazin-3-ylmethyl)pyrazol-5-amine
CID 106896555
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4-nitro-1-propylpyrazol-5-amine
CID 66028960
N-butyl-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66013299
N-[(5-bromothiophen-2-yl)methyl]-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66029720
N-(2,3-dimethylbutyl)-3-methyl-4-nitro-1-propylpyrazol-5-amine
CID 66029159
3-methyl-N-(2-methylpropyl)-4-nitro-1-propylpyrazol-5-amine
CID 66013105
N-methyl-N'-(3-methyl-4-nitro-1-propylpyrazol-5-yl)ethane-1,2-diamine
CID 66028978
3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-4-nitro-1-propylpyrazol-5-amine
CID 66027788
3-methyl-4-nitro-1-propyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazol-5-amine
CID 66028582
1-ethyl-3-methyl-4-nitro-N-(pyridin-3-ylmethyl)pyrazol-5-amine
CID 66011411

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine?
The IUPAC name of 3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine (CID 66027020) is 3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine.
What is the SMILES notation for 3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine?
The canonical SMILES for 3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine is CCCn1nc(C)c([N+](=O)[O-])c1NCc1ccn[nH]1.
What is the InChIKey of 3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine?
The InChIKey is PQFUJOZSMIXELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-3-6-16-11(10(17(18)19)8(2)15-16)12-7-9-4-5-13-14-9/h4-5,12H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine?
3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine has a molecular weight of 264.29 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitro-1-propyl-N-(1H-pyrazol-5-ylmethyl)pyrazol-5-amine is sourced from PubChem (CID 66027020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).