N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

C17H14N4O3 — CID 51101500

IUPACN-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccn(Cc2ccncc2)n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H14N4O3/c22-17(13-1-2-14-15(9-13)24-11-23-14)19-16-5-8-21(20-16)10-12-3-6-18-7-4-12/h1-9H,10-11H2,(H,19,20,22)
InChIKeyYFVQRAKQYOYVRT-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.31
Rot. Bonds4

About N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 51101500) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID51101500
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC NameN-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccn(Cc2ccncc2)n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H14N4O3/c22-17(13-1-2-14-15(9-13)24-11-23-14)19-16-5-8-21(20-16)10-12-3-6-18-7-4-12/h1-9H,10-11H2,(H,19,20,22)
InChIKeyYFVQRAKQYOYVRT-UHFFFAOYSA-N
XLogP2.31
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 19407437
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-2H-benzotriazole-5-carboxamide
CID 51101879
N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 52817236
(E)-3-(1,3-benzodioxol-5-yl)-N-(1-benzylpyrazol-3-yl)prop-2-enamide
CID 51118233
4-acetyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1H-pyrrole-2-carboxamide
CID 51101878
4-methylbenzoic acid;4-methyl-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]benzamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine
CID 163685789
N-(5-chloro-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 952845
3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 1224524
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1,3-benzodioxole-5-carboxamide
CID 17088646
4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871291
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
N-[6-[methyl(2-pyridin-4-ylethyl)amino]-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 113013536

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide (CID 51101500) is N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccn(Cc2ccncc2)n1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is YFVQRAKQYOYVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c22-17(13-1-2-14-15(9-13)24-11-23-14)19-16-5-8-21(20-16)10-12-3-6-18-7-4-12/h1-9H,10-11H2,(H,19,20,22).
What are the key properties of N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide?
N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 51101500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).