3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide

C16H19ClN4O2 — CID 166276212

IUPAC3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide
SMILESCOC1(CN)CC(C(=O)Nc2cnn(-c3ccccc3Cl)c2)C1
InChIInChI=1S/C16H19ClN4O2/c1-23-16(10-18)6-11(7-16)15(22)20-12-8-19-21(9-12)14-5-3-2-4-13(14)17/h2-5,8-9,11H,6-7,10,18H2,1H3,(H,20,22)
InChIKeyXZDOUHIVHPCMLJ-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.22
Rot. Bonds5

About 3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide

3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide (PubChem CID 166276212) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide
PubChem CID166276212
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide
SMILESCOC1(CN)CC(C(=O)Nc2cnn(-c3ccccc3Cl)c2)C1
InChIInChI=1S/C16H19ClN4O2/c1-23-16(10-18)6-11(7-16)15(22)20-12-8-19-21(9-12)14-5-3-2-4-13(14)17/h2-5,8-9,11H,6-7,10,18H2,1H3,(H,20,22)
InChIKeyXZDOUHIVHPCMLJ-UHFFFAOYSA-N
XLogP2.22
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide
CID 166276401
(2R)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-6-oxopiperidine-2-carboxamide
CID 146122044
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea
CID 111458977
3-[1-(2-chlorophenyl)pyrazol-4-yl]-1-(2-cyclopropyl-2-hydroxyethyl)-1-methylurea
CID 111859281
N-[1-(2-chlorophenyl)pyrazol-4-yl]-2-[(2S)-oxolan-2-yl]acetamide
CID 95614424
N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide
CID 56782231
N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide
CID 141275060
N-[4-[[1-(2-chlorophenyl)pyrazol-4-yl]amino]-4-oxobutyl]-4-methoxybenzamide
CID 86896456
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide
CID 122159392
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-cyanophenyl)urea
CID 86895935
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 56782243
N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide
CID 86896466

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide (CID 166276212) is 3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide is COC1(CN)CC(C(=O)Nc2cnn(-c3ccccc3Cl)c2)C1.
What is the InChIKey of 3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide?
The InChIKey is XZDOUHIVHPCMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-23-16(10-18)6-11(7-16)15(22)20-12-8-19-21(9-12)14-5-3-2-4-13(14)17/h2-5,8-9,11H,6-7,10,18H2,1H3,(H,20,22).
What are the key properties of 3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide?
3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide is sourced from PubChem (CID 166276212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).