3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile

C10H13N5 — CID 91661336

IUPAC3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile
SMILESN#CCCN(CCC#N)Cc1ccn[nH]1
InChIInChI=1S/C10H13N5/c11-4-1-7-15(8-2-5-12)9-10-3-6-13-14-10/h3,6H,1-2,7-9H2,(H,13,14)
InChIKeyKOSPGKJZHDTVSU-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.04
Rot. Bonds6

About 3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile

3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile (PubChem CID 91661336) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile
PubChem CID91661336
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile
SMILESN#CCCN(CCC#N)Cc1ccn[nH]1
InChIInChI=1S/C10H13N5/c11-4-1-7-15(8-2-5-12)9-10-3-6-13-14-10/h3,6H,1-2,7-9H2,(H,13,14)
InChIKeyKOSPGKJZHDTVSU-UHFFFAOYSA-N
XLogP1.04
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl((1H-pyrazol-3-yl)methyl)amine
CID 19614724
1-(1H-Pyrazol-5-yl)methanamine
CID 7147653
methyl[(1H-pyrazol-3-yl)methyl]amine hydrochloride
CID 138987600
bis[(1H-pyrazol-5-yl)methyl]amine
CID 61285482
N-ethyl-N-(1H-pyrazol-5-ylmethyl)cyclohexanamine
CID 75438377
(2,2-dimethyl-3-pyrrolidin-1-ylpropyl)methyl(1H-pyrazol-3-ylmethyl)amine
CID 77095112
5-[[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]methyl]-1H-pyrazole
CID 124292071
1,1,1,7,7,7-hexafluoro-N-(1H-pyrazol-5-ylmethyl)heptan-4-amine
CID 132324133
2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 43662220
N-(1H-pyrazol-5-ylmethyl)-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 54926937
N-(1H-pyrazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61283914
3,3,3-trifluoro-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 63226511

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile (CID 91661336) is 3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile is N#CCCN(CCC#N)Cc1ccn[nH]1.
What is the InChIKey of 3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile?
The InChIKey is KOSPGKJZHDTVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c11-4-1-7-15(8-2-5-12)9-10-3-6-13-14-10/h3,6H,1-2,7-9H2,(H,13,14).
What are the key properties of 3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile?
3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile has a molecular weight of 203.25 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanoethyl(1H-pyrazol-5-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 91661336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).