1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide

C14H20N4O2 — CID 138036020

IUPAC1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCc2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C14H20N4O2/c1-9(19)18-7-10(8-18)14(20)15-6-13-11-4-2-3-5-12(11)16-17-13/h10H,2-8H2,1H3,(H,15,20)(H,16,17)
InChIKeyHKUCZCBQNWRLSA-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.38
Rot. Bonds3

About 1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide

1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide (PubChem CID 138036020) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide
PubChem CID138036020
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCc2n[nH]c3c2CCCC3)C1
InChIInChI=1S/C14H20N4O2/c1-9(19)18-7-10(8-18)14(20)15-6-13-11-4-2-3-5-12(11)16-17-13/h10H,2-8H2,1H3,(H,15,20)(H,16,17)
InChIKeyHKUCZCBQNWRLSA-UHFFFAOYSA-N
XLogP0.38
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-4-methyl-1-[[(4S)-4-methyl-1,2-dioxo-1-[3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethylcarbamoyl)azetidin-1-yl]hexan-3-yl]amino]-1-oxopentan-2-yl]carbamic acid
CID 138470866
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
(3R)-2-ethyl-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 124750580
1-acetyl-N-[(3-methyl-2-pyridinyl)methyl]azetidine-3-carboxamide
CID 73440375
(3S)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126446748
1-[4-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 75489364
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclohexane-1-carboxamide
CID 170510670
1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide
CID 121494629
(3R)-1-(2-amino-2-oxoethyl)-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]piperidine-3-carboxamide
CID 95214360
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine
CID 62113034
(2S)-2-amino-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanoic acid
CID 102354753
(2S)-2-acetamido-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-3-(1H-imidazol-5-yl)propanamide
CID 91790845

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide (CID 138036020) is 1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide is CC(=O)N1CC(C(=O)NCc2n[nH]c3c2CCCC3)C1.
What is the InChIKey of 1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide?
The InChIKey is HKUCZCBQNWRLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(19)18-7-10(8-18)14(20)15-6-13-11-4-2-3-5-12(11)16-17-13/h10H,2-8H2,1H3,(H,15,20)(H,16,17).
What are the key properties of 1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide?
1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide is sourced from PubChem (CID 138036020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).