5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile

C13H21N5O — CID 102796021

IUPAC5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile
SMILESCCCn1nc(NC2CCC(O)CC2)c(C#N)c1N
InChIInChI=1S/C13H21N5O/c1-2-7-18-12(15)11(8-14)13(17-18)16-9-3-5-10(19)6-4-9/h9-10,19H,2-7,15H2,1H3,(H,16,17)
InChIKeyFZCWTYIAKBPKKP-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.46
Rot. Bonds4

About 5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile

5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile (PubChem CID 102796021) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile
PubChem CID102796021
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile
SMILESCCCn1nc(NC2CCC(O)CC2)c(C#N)c1N
InChIInChI=1S/C13H21N5O/c1-2-7-18-12(15)11(8-14)13(17-18)16-9-3-5-10(19)6-4-9/h9-10,19H,2-7,15H2,1H3,(H,16,17)
InChIKeyFZCWTYIAKBPKKP-UHFFFAOYSA-N
XLogP1.46
TPSA99.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-1-propyl-3-(propylamino)pyrazole-4-carbonitrile
CID 102796033
2-[5-amino-4-cyano-3-(oxan-4-ylamino)pyrazol-1-yl]acetic acid
CID 102796631
5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795333
5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile
CID 102795991
5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile
CID 102795727
5-amino-3-(azetidin-3-ylamino)-1-tert-butylpyrazole-4-carbonitrile
CID 102795652
5-amino-3-(butylamino)-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796672
4-amino-2-[(4-hydroxycyclohexyl)amino]-5-propanoylthiophene-3-carbonitrile
CID 103424692
5-amino-1-(3-cyanophenyl)-3-(cyclopropylamino)pyrazole-4-carbonitrile
CID 102795914
5-amino-3-(azetidin-3-ylamino)-1-[(2-chlorophenyl)methyl]pyrazole-4-carbonitrile
CID 102796539
5-amino-3-(cyclopropylamino)-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 102796273
methyl 5-amino-1-butyl-3-(oxan-4-ylamino)pyrazole-4-carboxylate
CID 102808783

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile (CID 102796021) is 5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile is CCCn1nc(NC2CCC(O)CC2)c(C#N)c1N.
What is the InChIKey of 5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile?
The InChIKey is FZCWTYIAKBPKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-7-18-12(15)11(8-14)13(17-18)16-9-3-5-10(19)6-4-9/h9-10,19H,2-7,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile?
5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile is sourced from PubChem (CID 102796021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).