3-amino-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carbonitrile

C10H15N5 — CID 83856490

IUPAC3-amino-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1CCC1CCNC1
InChIInChI=1S/C10H15N5/c11-5-8-9(14-15-10(8)12)2-1-7-3-4-13-6-7/h7,13H,1-4,6H2,(H3,12,14,15)
InChIKeyARKFTLSUAMCXAJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.41
Rot. Bonds3

About 3-amino-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carbonitrile

3-amino-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carbonitrile (PubChem CID 83856490) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-amino-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carbonitrile
PubChem CID83856490
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name3-amino-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carbonitrile
SMILESN#Cc1c(N)n[nH]c1CCC1CCNC1
InChIInChI=1S/C10H15N5/c11-5-8-9(14-15-10(8)12)2-1-7-3-4-13-6-7/h7,13H,1-4,6H2,(H3,12,14,15)
InChIKeyARKFTLSUAMCXAJ-UHFFFAOYSA-N
XLogP0.41
TPSA90.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carbonitrile (CID 83856490) is 3-amino-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carbonitrile is N#Cc1c(N)n[nH]c1CCC1CCNC1.
What is the InChIKey of 3-amino-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carbonitrile?
The InChIKey is ARKFTLSUAMCXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c11-5-8-9(14-15-10(8)12)2-1-7-3-4-13-6-7/h7,13H,1-4,6H2,(H3,12,14,15).
What are the key properties of 3-amino-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carbonitrile?
3-amino-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 83856490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).