1-methyl-4-nitro-3-propyl-N-(1-pyridin-3-ylethyl)pyrazol-5-amine

C14H19N5O2 — CID 66017469

IUPAC1-methyl-4-nitro-3-propyl-N-(1-pyridin-3-ylethyl)pyrazol-5-amine
SMILESCCCc1nn(C)c(NC(C)c2cccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H19N5O2/c1-4-6-12-13(19(20)21)14(18(3)17-12)16-10(2)11-7-5-8-15-9-11/h5,7-10,16H,4,6H2,1-3H3
InChIKeyBAJMNEAZNZRQRB-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.85
Rot. Bonds6

About 1-methyl-4-nitro-3-propyl-N-(1-pyridin-3-ylethyl)pyrazol-5-amine

1-methyl-4-nitro-3-propyl-N-(1-pyridin-3-ylethyl)pyrazol-5-amine (PubChem CID 66017469) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-methyl-4-nitro-3-propyl-N-(1-pyridin-3-ylethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-nitro-3-propyl-N-(1-pyridin-3-ylethyl)pyrazol-5-amine
PubChem CID66017469
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-methyl-4-nitro-3-propyl-N-(1-pyridin-3-ylethyl)pyrazol-5-amine
SMILESCCCc1nn(C)c(NC(C)c2cccnc2)c1[N+](=O)[O-]
InChIInChI=1S/C14H19N5O2/c1-4-6-12-13(19(20)21)14(18(3)17-12)16-10(2)11-7-5-8-15-9-11/h5,7-10,16H,4,6H2,1-3H3
InChIKeyBAJMNEAZNZRQRB-UHFFFAOYSA-N
XLogP2.85
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
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-heptan-2-yl-1-methyl-4-nitro-3-propylpyrazol-5-amine
CID 66019032
1-N,1-N-diethyl-2-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,2-diamine
CID 66019038
3-methyl-2-N-(1-methyl-4-nitro-3-propylpyrazol-5-yl)butane-1,2-diamine
CID 66019068
3-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]butanoic acid
CID 66016089
N-methyl-2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propanamide
CID 66018839
2-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]-N-propylpropanamide
CID 66019999
1-methyl-4-nitro-3-propyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-5-amine
CID 66019804
4-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]pentanoic acid
CID 66014875
1-methyl-5-N-(1-phenylethyl)-3-propylpyrazole-4,5-diamine
CID 66018634
N,2-dimethyl-N'-(1-methyl-4-nitro-3-propylpyrazol-5-yl)propane-1,3-diamine
CID 115302974
2-methyl-3-[(1-methyl-4-nitro-3-propylpyrazol-5-yl)amino]propan-1-ol
CID 66019630
6-hydrazinyl-5-nitro-N-(1-pyridin-3-ylethyl)pyrimidin-4-amine
CID 80907034

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-3-propyl-N-(1-pyridin-3-ylethyl)pyrazol-5-amine?
The IUPAC name of 1-methyl-4-nitro-3-propyl-N-(1-pyridin-3-ylethyl)pyrazol-5-amine (CID 66017469) is 1-methyl-4-nitro-3-propyl-N-(1-pyridin-3-ylethyl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-nitro-3-propyl-N-(1-pyridin-3-ylethyl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-nitro-3-propyl-N-(1-pyridin-3-ylethyl)pyrazol-5-amine is CCCc1nn(C)c(NC(C)c2cccnc2)c1[N+](=O)[O-].
What is the InChIKey of 1-methyl-4-nitro-3-propyl-N-(1-pyridin-3-ylethyl)pyrazol-5-amine?
The InChIKey is BAJMNEAZNZRQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-6-12-13(19(20)21)14(18(3)17-12)16-10(2)11-7-5-8-15-9-11/h5,7-10,16H,4,6H2,1-3H3.
What are the key properties of 1-methyl-4-nitro-3-propyl-N-(1-pyridin-3-ylethyl)pyrazol-5-amine?
1-methyl-4-nitro-3-propyl-N-(1-pyridin-3-ylethyl)pyrazol-5-amine has a molecular weight of 289.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-3-propyl-N-(1-pyridin-3-ylethyl)pyrazol-5-amine is sourced from PubChem (CID 66017469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).