N-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide

C16H21N5O2 — CID 167933065

IUPACN-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide
SMILESCn1nc(C2CCOCC2)cc1C(=O)NC1(c2ncc[nH]2)CC1
InChIInChI=1S/C16H21N5O2/c1-21-13(10-12(20-21)11-2-8-23-9-3-11)14(22)19-16(4-5-16)15-17-6-7-18-15/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18)(H,19,22)
InChIKeyOVJDUCPXCDUYMW-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.46
Rot. Bonds4

About N-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide

N-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide (PubChem CID 167933065) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide
PubChem CID167933065
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide
SMILESCn1nc(C2CCOCC2)cc1C(=O)NC1(c2ncc[nH]2)CC1
InChIInChI=1S/C16H21N5O2/c1-21-13(10-12(20-21)11-2-8-23-9-3-11)14(22)19-16(4-5-16)15-17-6-7-18-15/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18)(H,19,22)
InChIKeyOVJDUCPXCDUYMW-UHFFFAOYSA-N
XLogP1.46
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide?
The IUPAC name of N-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide (CID 167933065) is N-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide is Cn1nc(C2CCOCC2)cc1C(=O)NC1(c2ncc[nH]2)CC1.
What is the InChIKey of N-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide?
The InChIKey is OVJDUCPXCDUYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-21-13(10-12(20-21)11-2-8-23-9-3-11)14(22)19-16(4-5-16)15-17-6-7-18-15/h6-7,10-11H,2-5,8-9H2,1H3,(H,17,18)(H,19,22).
What are the key properties of N-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide?
N-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-imidazol-2-yl)cyclopropyl]-1-methyl-3-(oxan-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 167933065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).