2-[4-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one

C14H13N5O — CID 59186942

IUPAC2-[4-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESNCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1
InChIInChI=1S/C14H13N5O/c15-7-10-3-5-17-13(6-10)19-14(20)12(9-18-19)11-2-1-4-16-8-11/h1-6,8-9,18H,7,15H2
InChIKeyICCGIBTWBHPFQU-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.08
Rot. Bonds3

About 2-[4-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one

2-[4-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one (PubChem CID 59186942) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-[4-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one
PubChem CID59186942
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-[4-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one
SMILESNCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1
InChIInChI=1S/C14H13N5O/c15-7-10-3-5-17-13(6-10)19-14(20)12(9-18-19)11-2-1-4-16-8-11/h1-6,8-9,18H,7,15H2
InChIKeyICCGIBTWBHPFQU-UHFFFAOYSA-N
XLogP1.08
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one?
The IUPAC name of 2-[4-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one (CID 59186942) is 2-[4-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one.
What is the SMILES notation for 2-[4-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one?
The canonical SMILES for 2-[4-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one is NCc1ccnc(-n2[nH]cc(-c3cccnc3)c2=O)c1.
What is the InChIKey of 2-[4-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one?
The InChIKey is ICCGIBTWBHPFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c15-7-10-3-5-17-13(6-10)19-14(20)12(9-18-19)11-2-1-4-16-8-11/h1-6,8-9,18H,7,15H2.
What are the key properties of 2-[4-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one?
2-[4-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one has a molecular weight of 267.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-2-pyridinyl]-4-pyridin-3-yl-1H-pyrazol-3-one is sourced from PubChem (CID 59186942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).