1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide

C15H23N5O2 — CID 126900915

IUPAC1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CN(C(=O)NC3CCCCCC3)C2)c1
InChIInChI=1S/C15H23N5O2/c16-14(21)11-7-17-20(8-11)13-9-19(10-13)15(22)18-12-5-3-1-2-4-6-12/h7-8,12-13H,1-6,9-10H2,(H2,16,21)(H,18,22)
InChIKeyNJHGUKDKSSVDKM-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.27
Rot. Bonds3

About 1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide

1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide (PubChem CID 126900915) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide
PubChem CID126900915
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2CN(C(=O)NC3CCCCCC3)C2)c1
InChIInChI=1S/C15H23N5O2/c16-14(21)11-7-17-20(8-11)13-9-19(10-13)15(22)18-12-5-3-1-2-4-6-12/h7-8,12-13H,1-6,9-10H2,(H2,16,21)(H,18,22)
InChIKeyNJHGUKDKSSVDKM-UHFFFAOYSA-N
XLogP1.27
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-[4-(3-methyl-2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidine-1-carboxamide
CID 126945976
1-(1-prop-2-enoylazetidin-3-yl)pyrazole-4-carboxamide
CID 175742679
3-(4-bromopyrazol-1-yl)-N-(oxan-4-yl)azetidine-1-carboxamide
CID 126901204
N-cycloheptyl-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121183847
N-cyclohexyl-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121154889
1-[1-(4-methyl-1,3-thiazole-5-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126900922
1-[(4R)-azepan-4-yl]pyrazole-4-carboxamide
CID 95804927
1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126901107
1-[1-(4-bromothiophene-2-carbonyl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126901123
1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126901130
1-cyclohexylpyrazole-4-carbonyl chloride
CID 83814222
1-[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]pyrazole-4-carboxamide
CID 126901018

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide (CID 126900915) is 1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide is NC(=O)c1cnn(C2CN(C(=O)NC3CCCCCC3)C2)c1.
What is the InChIKey of 1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide?
The InChIKey is NJHGUKDKSSVDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c16-14(21)11-7-17-20(8-11)13-9-19(10-13)15(22)18-12-5-3-1-2-4-6-12/h7-8,12-13H,1-6,9-10H2,(H2,16,21)(H,18,22).
What are the key properties of 1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide?
1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cycloheptylcarbamoyl)azetidin-3-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 126900915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).