2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine

C12H15N5O2 — CID 79251874

IUPAC2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(Cn2cc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C12H15N5O2/c1-2-4-13-10-3-5-14-11(6-10)8-16-9-12(7-15-16)17(18)19/h3,5-7,9H,2,4,8H2,1H3,(H,13,14)
InChIKeyQMRSMNKGMQUXPH-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.06
Rot. Bonds6

About 2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine

2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine (PubChem CID 79251874) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine
PubChem CID79251874
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(Cn2cc([N+](=O)[O-])cn2)c1
InChIInChI=1S/C12H15N5O2/c1-2-4-13-10-3-5-14-11(6-10)8-16-9-12(7-15-16)17(18)19/h3,5-7,9H,2,4,8H2,1H3,(H,13,14)
InChIKeyQMRSMNKGMQUXPH-UHFFFAOYSA-N
XLogP2.06
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.06
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

5-[(4-nitropyrazol-1-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79775296
2-[(3-methylpyrazol-1-yl)methyl]-N-propylpyridin-4-amine
CID 79251814
2-chloro-4-[(4-nitropyrazol-1-yl)methyl]pyridine
CID 62300486
2-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine
CID 79259514
1-butyl-4-nitropyrazole
CID 50999673
[5-[(4-nitropyrazol-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103061286
2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-N-propylpyridin-4-amine
CID 79250929
2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine
CID 79245524
N-propyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyridin-4-amine
CID 79251471
4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63649872
N-methyl-2-[(4-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine
CID 79250794
fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole
CID 176710740

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine (CID 79251874) is 2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine is CCCNc1ccnc(Cn2cc([N+](=O)[O-])cn2)c1.
What is the InChIKey of 2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine?
The InChIKey is QMRSMNKGMQUXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-2-4-13-10-3-5-14-11(6-10)8-16-9-12(7-15-16)17(18)19/h3,5-7,9H,2,4,8H2,1H3,(H,13,14).
What are the key properties of 2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine?
2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine has a molecular weight of 261.28 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitropyrazol-1-yl)methyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79251874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).