N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide

C14H19N5O — CID 91923839

IUPACN-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cnc(CCNC(=O)c2ccnn2C)n1C1CC1
InChIInChI=1S/C14H19N5O/c1-10-9-16-13(19(10)11-3-4-11)6-7-15-14(20)12-5-8-17-18(12)2/h5,8-9,11H,3-4,6-7H2,1-2H3,(H,15,20)
InChIKeyPCRDTWSOKCQBLT-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.23
Rot. Bonds5

About N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide

N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 91923839) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide
PubChem CID91923839
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cnc(CCNC(=O)c2ccnn2C)n1C1CC1
InChIInChI=1S/C14H19N5O/c1-10-9-16-13(19(10)11-3-4-11)6-7-15-14(20)12-5-8-17-18(12)2/h5,8-9,11H,3-4,6-7H2,1-2H3,(H,15,20)
InChIKeyPCRDTWSOKCQBLT-UHFFFAOYSA-N
XLogP1.23
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide (CID 91923839) is N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide is Cc1cnc(CCNC(=O)c2ccnn2C)n1C1CC1.
What is the InChIKey of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is PCRDTWSOKCQBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-9-16-13(19(10)11-3-4-11)6-7-15-14(20)12-5-8-17-18(12)2/h5,8-9,11H,3-4,6-7H2,1-2H3,(H,15,20).
What are the key properties of N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide?
N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropyl-5-methylimidazol-2-yl)ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 91923839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).