1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine

C14H26N4 — CID 103078708

IUPAC1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine
SMILESCC(C)CC1(CNc2nn(C)cc2N)CCCC1
InChIInChI=1S/C14H26N4/c1-11(2)8-14(6-4-5-7-14)10-16-13-12(15)9-18(3)17-13/h9,11H,4-8,10,15H2,1-3H3,(H,16,17)
InChIKeyYXGDVRZZZHWJGZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.02
Rot. Bonds5

About 1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine

1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine (PubChem CID 103078708) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine.

Molecular Properties

Compound Name1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine
PubChem CID103078708
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine
SMILESCC(C)CC1(CNc2nn(C)cc2N)CCCC1
InChIInChI=1S/C14H26N4/c1-11(2)8-14(6-4-5-7-14)10-16-13-12(15)9-18(3)17-13/h9,11H,4-8,10,15H2,1-3H3,(H,16,17)
InChIKeyYXGDVRZZZHWJGZ-UHFFFAOYSA-N
XLogP3.02
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-nitropyrazol-3-amine
CID 103080014
1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]cyclobutan-1-ol
CID 103078928
6-methyl-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine
CID 81132129
6-methoxy-2-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-2,3-diamine
CID 115320957
5-ethyl-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-4,6-diamine
CID 80854553
1-methyl-3-N-(2-pyrrolidin-1-ylpropyl)pyrazole-3,4-diamine
CID 103078748
5-bromo-4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-3,4-diamine
CID 103518322
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 103001679
1-[[(4-amino-1-methylpyrazol-3-yl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 103078617
6-hydrazinyl-2,5-dimethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidin-4-amine
CID 80928736
4-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrimidine-2,4,6-triamine
CID 80854484
3-bromo-4-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridin-2-amine
CID 106875830

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine?
The IUPAC name of 1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine (CID 103078708) is 1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine.
What is the SMILES notation for 1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine?
The canonical SMILES for 1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine is CC(C)CC1(CNc2nn(C)cc2N)CCCC1.
What is the InChIKey of 1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine?
The InChIKey is YXGDVRZZZHWJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11(2)8-14(6-4-5-7-14)10-16-13-12(15)9-18(3)17-13/h9,11H,4-8,10,15H2,1-3H3,(H,16,17).
What are the key properties of 1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine?
1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine has a molecular weight of 250.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyrazole-3,4-diamine is sourced from PubChem (CID 103078708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).