1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]-N,N-dimethylpiperidine-3-carboxamide

C19H25N5O2 — CID 110121845

IUPAC1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(C(=O)c2ccccc2-n2cc(CN)cn2)C1
InChIInChI=1S/C19H25N5O2/c1-22(2)18(25)15-6-5-9-23(13-15)19(26)16-7-3-4-8-17(16)24-12-14(10-20)11-21-24/h3-4,7-8,11-12,15H,5-6,9-10,13,20H2,1-2H3
InChIKeyMVNZSOROEQLPNC-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.27
Rot. Bonds4

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

1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 110121845) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID110121845
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(C(=O)c2ccccc2-n2cc(CN)cn2)C1
InChIInChI=1S/C19H25N5O2/c1-22(2)18(25)15-6-5-9-23(13-15)19(26)16-7-3-4-8-17(16)24-12-14(10-20)11-21-24/h3-4,7-8,11-12,15H,5-6,9-10,13,20H2,1-2H3
InChIKeyMVNZSOROEQLPNC-UHFFFAOYSA-N
XLogP1.27
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]-N,N-dimethylpiperidine-3-carboxamide (CID 110121845) is 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]-N,N-dimethylpiperidine-3-carboxamide is CN(C)C(=O)C1CCCN(C(=O)c2ccccc2-n2cc(CN)cn2)C1.
What is the InChIKey of 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is MVNZSOROEQLPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-22(2)18(25)15-6-5-9-23(13-15)19(26)16-7-3-4-8-17(16)24-12-14(10-20)11-21-24/h3-4,7-8,11-12,15H,5-6,9-10,13,20H2,1-2H3.
What are the key properties of 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]-N,N-dimethylpiperidine-3-carboxamide?
1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(aminomethyl)pyrazol-1-yl]benzoyl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 110121845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).