2-[(4-aminopyrazol-1-yl)methyl]cyclopropane-1-carbonitrile

C8H10N4 — CID 89428835

IUPAC2-[(4-aminopyrazol-1-yl)methyl]cyclopropane-1-carbonitrile
SMILESN#CC1CC1Cn1cc(N)cn1
InChIInChI=1S/C8H10N4/c9-2-6-1-7(6)4-12-5-8(10)3-11-12/h3,5-7H,1,4,10H2
InChIKeyXHTZGPSTVQRLJI-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.62
Rot. Bonds2

About 2-[(4-aminopyrazol-1-yl)methyl]cyclopropane-1-carbonitrile

2-[(4-aminopyrazol-1-yl)methyl]cyclopropane-1-carbonitrile (PubChem CID 89428835) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 2-[(4-aminopyrazol-1-yl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-[(4-aminopyrazol-1-yl)methyl]cyclopropane-1-carbonitrile
PubChem CID89428835
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name2-[(4-aminopyrazol-1-yl)methyl]cyclopropane-1-carbonitrile
SMILESN#CC1CC1Cn1cc(N)cn1
InChIInChI=1S/C8H10N4/c9-2-6-1-7(6)4-12-5-8(10)3-11-12/h3,5-7H,1,4,10H2
InChIKeyXHTZGPSTVQRLJI-UHFFFAOYSA-N
XLogP0.62
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminopyrazol-1-yl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 2-[(4-aminopyrazol-1-yl)methyl]cyclopropane-1-carbonitrile (CID 89428835) is 2-[(4-aminopyrazol-1-yl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-[(4-aminopyrazol-1-yl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 2-[(4-aminopyrazol-1-yl)methyl]cyclopropane-1-carbonitrile is N#CC1CC1Cn1cc(N)cn1.
What is the InChIKey of 2-[(4-aminopyrazol-1-yl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is XHTZGPSTVQRLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c9-2-6-1-7(6)4-12-5-8(10)3-11-12/h3,5-7H,1,4,10H2.
What are the key properties of 2-[(4-aminopyrazol-1-yl)methyl]cyclopropane-1-carbonitrile?
2-[(4-aminopyrazol-1-yl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 162.20 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminopyrazol-1-yl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 89428835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).