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

C18H24N4O2 — CID 166276401

IUPAC3-(aminomethyl)-N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide
SMILESCOC1(CN)CC(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)C1
InChIInChI=1S/C18H24N4O2/c1-12-4-5-16(13(2)6-12)22-10-15(9-20-22)21-17(23)14-7-18(8-14,11-19)24-3/h4-6,9-10,14H,7-8,11,19H2,1-3H3,(H,21,23)
InChIKeyOJENIIWJNVRPAT-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.18
Rot. Bonds5

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

3-(aminomethyl)-N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide (PubChem CID 166276401) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide
PubChem CID166276401
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-(aminomethyl)-N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide
SMILESCOC1(CN)CC(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)C1
InChIInChI=1S/C18H24N4O2/c1-12-4-5-16(13(2)6-12)22-10-15(9-20-22)21-17(23)14-7-18(8-14,11-19)24-3/h4-6,9-10,14H,7-8,11,19H2,1-3H3,(H,21,23)
InChIKeyOJENIIWJNVRPAT-UHFFFAOYSA-N
XLogP2.18
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide (CID 166276401) is 3-(aminomethyl)-N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide is COC1(CN)CC(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)C1.
What is the InChIKey of 3-(aminomethyl)-N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide?
The InChIKey is OJENIIWJNVRPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12-4-5-16(13(2)6-12)22-10-15(9-20-22)21-17(23)14-7-18(8-14,11-19)24-3/h4-6,9-10,14H,7-8,11,19H2,1-3H3,(H,21,23).
What are the key properties of 3-(aminomethyl)-N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide?
3-(aminomethyl)-N-[1-(2,4-dimethylphenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.18, 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-(2,4-dimethylphenyl)pyrazol-4-yl]-3-methoxycyclobutane-1-carboxamide is sourced from PubChem (CID 166276401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).