N-[[5-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine

C14H19N5 — CID 107381217

IUPACN-[[5-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
SMILESCC(C)c1ccn(-c2cnc(CNC3CC3)cn2)n1
InChIInChI=1S/C14H19N5/c1-10(2)13-5-6-19(18-13)14-9-16-12(8-17-14)7-15-11-3-4-11/h5-6,8-11,15H,3-4,7H2,1-2H3
InChIKeyQMTWTJCUUCIWBC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.04
Rot. Bonds5

About N-[[5-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine

N-[[5-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 107381217) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[[5-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID107381217
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC NameN-[[5-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
SMILESCC(C)c1ccn(-c2cnc(CNC3CC3)cn2)n1
InChIInChI=1S/C14H19N5/c1-10(2)13-5-6-19(18-13)14-9-16-12(8-17-14)7-15-11-3-4-11/h5-6,8-11,15H,3-4,7H2,1-2H3
InChIKeyQMTWTJCUUCIWBC-UHFFFAOYSA-N
XLogP2.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine (CID 107381217) is N-[[5-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine is CC(C)c1ccn(-c2cnc(CNC3CC3)cn2)n1.
What is the InChIKey of N-[[5-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is QMTWTJCUUCIWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-10(2)13-5-6-19(18-13)14-9-16-12(8-17-14)7-15-11-3-4-11/h5-6,8-11,15H,3-4,7H2,1-2H3.
What are the key properties of N-[[5-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine?
N-[[5-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 257.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-propan-2-ylpyrazol-1-yl)pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107381217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).