N-[4-(aminomethyl)phenyl]-1-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide

C17H17N5O — CID 166363312

IUPACN-[4-(aminomethyl)phenyl]-1-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide
SMILESCc1ccnc(-n2cc(C(=O)Nc3ccc(CN)cc3)cn2)c1
InChIInChI=1S/C17H17N5O/c1-12-6-7-19-16(8-12)22-11-14(10-20-22)17(23)21-15-4-2-13(9-18)3-5-15/h2-8,10-11H,9,18H2,1H3,(H,21,23)
InChIKeyPXGHAMQBPLTTKA-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.29
Rot. Bonds4

About N-[4-(aminomethyl)phenyl]-1-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide

N-[4-(aminomethyl)phenyl]-1-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide (PubChem CID 166363312) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-1-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-1-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide
PubChem CID166363312
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC NameN-[4-(aminomethyl)phenyl]-1-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide
SMILESCc1ccnc(-n2cc(C(=O)Nc3ccc(CN)cc3)cn2)c1
InChIInChI=1S/C17H17N5O/c1-12-6-7-19-16(8-12)22-11-14(10-20-22)17(23)21-15-4-2-13(9-18)3-5-15/h2-8,10-11H,9,18H2,1H3,(H,21,23)
InChIKeyPXGHAMQBPLTTKA-UHFFFAOYSA-N
XLogP2.29
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[[1-(4-methyl-2-pyridinyl)pyrazole-4-carbonyl]amino]ethyldisulfanyl]propanoic acid;2,2,2-trifluoroacetic acid
CID 166425095
N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62920449
1-[6-(benzylamino)pyrimidin-4-yl]-N-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 171358486
N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 64794504
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 39890492
N-pyridazin-4-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 45256977
4-(aminomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 24699191
4-benzamido-N-(4-methyl-2-pyridinyl)benzamide
CID 17153203
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
4-(2-aminoethoxy)-N-[4-(aminomethyl)phenyl]-3,5-dimethylbenzamide
CID 143492214
[2-(4-ethylpyrazol-1-yl)-4-pyridinyl]methanamine
CID 84776884

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-1-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-1-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide (CID 166363312) is N-[4-(aminomethyl)phenyl]-1-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-1-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-1-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide is Cc1ccnc(-n2cc(C(=O)Nc3ccc(CN)cc3)cn2)c1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-1-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide?
The InChIKey is PXGHAMQBPLTTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-12-6-7-19-16(8-12)22-11-14(10-20-22)17(23)21-15-4-2-13(9-18)3-5-15/h2-8,10-11H,9,18H2,1H3,(H,21,23).
What are the key properties of N-[4-(aminomethyl)phenyl]-1-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide?
N-[4-(aminomethyl)phenyl]-1-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-1-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide is sourced from PubChem (CID 166363312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).