5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile

C12H21N5 — CID 102796194

IUPAC5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile
SMILESCCCNc1nn(C(CC)CC)c(N)c1C#N
InChIInChI=1S/C12H21N5/c1-4-7-15-12-10(8-13)11(14)17(16-12)9(5-2)6-3/h9H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyULZDCQKSEWDDAR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds6

About 5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile

5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile (PubChem CID 102796194) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile
PubChem CID102796194
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile
SMILESCCCNc1nn(C(CC)CC)c(N)c1C#N
InChIInChI=1S/C12H21N5/c1-4-7-15-12-10(8-13)11(14)17(16-12)9(5-2)6-3/h9H,4-7,14H2,1-3H3,(H,15,16)
InChIKeyULZDCQKSEWDDAR-UHFFFAOYSA-N
XLogP2.52
TPSA79.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-propyl-3-(propylamino)pyrazole-4-carbonitrile
CID 102796033
5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795333
5-amino-1-butan-2-yl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
CID 102796157
5-amino-1-[(4-bromophenyl)methyl]-3-(propylamino)pyrazole-4-carbonitrile
CID 102796555
5-amino-3-(propylamino)-1-(3,4,5-trifluorophenyl)pyrazole-4-carbonitrile
CID 102796744
5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795388
5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795681
tert-butyl N-[2-[(5-amino-4-cyano-1-propan-2-ylpyrazol-3-yl)amino]ethyl]carbamate
CID 102795954
5-amino-1-(1-cyclopropylethyl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
CID 102796212
5-amino-3-(butylamino)-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796672
5-amino-1-tert-butyl-3-(ethylamino)pyrazole-4-carbonitrile
CID 102795655
5-amino-1-tert-butyl-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
CID 102795650

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile (CID 102796194) is 5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile is CCCNc1nn(C(CC)CC)c(N)c1C#N.
What is the InChIKey of 5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile?
The InChIKey is ULZDCQKSEWDDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-4-7-15-12-10(8-13)11(14)17(16-12)9(5-2)6-3/h9H,4-7,14H2,1-3H3,(H,15,16).
What are the key properties of 5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile?
5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile has a molecular weight of 235.33 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 102796194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).