N-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide

C16H19N5O — CID 138012008

IUPACN-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccncc2)cc1C(=O)NC1CC2(C1)CC2N
InChIInChI=1S/C16H19N5O/c1-21-13(6-12(20-21)10-2-4-18-5-3-10)15(22)19-11-7-16(8-11)9-14(16)17/h2-6,11,14H,7-9,17H2,1H3,(H,19,22)
InChIKeyFMXLBOZVQHQMDW-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.09
Rot. Bonds3

About N-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide

N-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide (PubChem CID 138012008) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide
PubChem CID138012008
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide
SMILESCn1nc(-c2ccncc2)cc1C(=O)NC1CC2(C1)CC2N
InChIInChI=1S/C16H19N5O/c1-21-13(6-12(20-21)10-2-4-18-5-3-10)15(22)19-11-7-16(8-11)9-14(16)17/h2-6,11,14H,7-9,17H2,1H3,(H,19,22)
InChIKeyFMXLBOZVQHQMDW-UHFFFAOYSA-N
XLogP1.09
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide?
The IUPAC name of N-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide (CID 138012008) is N-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide is Cn1nc(-c2ccncc2)cc1C(=O)NC1CC2(C1)CC2N.
What is the InChIKey of N-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide?
The InChIKey is FMXLBOZVQHQMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-21-13(6-12(20-21)10-2-4-18-5-3-10)15(22)19-11-7-16(8-11)9-14(16)17/h2-6,11,14H,7-9,17H2,1H3,(H,19,22).
What are the key properties of N-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide?
N-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminospiro[2.3]hexan-5-yl)-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide is sourced from PubChem (CID 138012008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).