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

C14H22N4O2 — CID 110272260

IUPACN-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCCN1C1CCOCC1
InChIInChI=1S/C14H22N4O2/c1-15-14(19)11-9-16-17-13(11)12-3-2-6-18(12)10-4-7-20-8-5-10/h9-10,12H,2-8H2,1H3,(H,15,19)(H,16,17)
InChIKeyKGKAJONARRFWEI-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.09
Rot. Bonds3

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

N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 110272260) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID110272260
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCCN1C1CCOCC1
InChIInChI=1S/C14H22N4O2/c1-15-14(19)11-9-16-17-13(11)12-3-2-6-18(12)10-4-7-20-8-5-10/h9-10,12H,2-8H2,1H3,(H,15,19)(H,16,17)
InChIKeyKGKAJONARRFWEI-UHFFFAOYSA-N
XLogP1.09
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide (CID 110272260) is N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1C1CCCN1C1CCOCC1.
What is the InChIKey of N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is KGKAJONARRFWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-15-14(19)11-9-16-17-13(11)12-3-2-6-18(12)10-4-7-20-8-5-10/h9-10,12H,2-8H2,1H3,(H,15,19)(H,16,17).
What are the key properties of N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[1-(oxan-4-yl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110272260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).