1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine

C14H24N4O2 — CID 103080014

IUPAC1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine
SMILESCC(C)CC1(CNc2nn(C)cc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C14H24N4O2/c1-11(2)8-14(6-4-5-7-14)10-15-13-12(18(19)20)9-17(3)16-13/h9,11H,4-8,10H2,1-3H3,(H,15,16)
InChIKeySCLBXLCAVPBWDK-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.35
Rot. Bonds6

About 1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine

1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine (PubChem CID 103080014) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine
PubChem CID103080014
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine
SMILESCC(C)CC1(CNc2nn(C)cc2[N+](=O)[O-])CCCC1
InChIInChI=1S/C14H24N4O2/c1-11(2)8-14(6-4-5-7-14)10-15-13-12(18(19)20)9-17(3)16-13/h9,11H,4-8,10H2,1-3H3,(H,15,16)
InChIKeySCLBXLCAVPBWDK-UHFFFAOYSA-N
XLogP3.35
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine
CID 103078708
1-[[(1-methyl-4-nitropyrazol-3-yl)amino]methyl]cycloheptan-1-ol
CID 103079975
1-methyl-N-(3-methylbutyl)-4-nitropyrazol-3-amine
CID 103079653
4-methyl-1-[(1-methyl-4-nitropyrazol-3-yl)amino]pentan-2-ol
CID 107153465
3-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-5-nitroaniline
CID 115981419
1-[(1-methyl-4-nitropyrazol-3-yl)amino]cyclohexane-1-carboxylic acid
CID 103079277
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide
CID 103080080
N-(2,2-dimethoxyethyl)-1-methyl-4-nitropyrazol-3-amine
CID 107390111
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-(2-methylpropyl)propanamide
CID 103080082
1-methyl-N-(3-methylbutan-2-yl)-4-nitropyrazol-3-amine
CID 103079678
2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide
CID 103079637
1-methyl-N-(2-methylsulfanylethyl)-4-nitropyrazol-3-amine
CID 103079933

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine?
The IUPAC name of 1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine (CID 103080014) is 1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine is CC(C)CC1(CNc2nn(C)cc2[N+](=O)[O-])CCCC1.
What is the InChIKey of 1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine?
The InChIKey is SCLBXLCAVPBWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11(2)8-14(6-4-5-7-14)10-15-13-12(18(19)20)9-17(3)16-13/h9,11H,4-8,10H2,1-3H3,(H,15,16).
What are the key properties of 1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine?
1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine has a molecular weight of 280.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine is sourced from PubChem (CID 103080014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).