N-pyridin-3-yl-1H-pyrazole-5-carboxamide

C9H8N4O — CID 70501112

IUPACN-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccnc1)c1ccn[nH]1
InChIInChI=1S/C9H8N4O/c14-9(8-3-5-11-13-8)12-7-2-1-4-10-6-7/h1-6H,(H,11,13)(H,12,14)
InChIKeyDHNACMOLCIBKPN-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.06
Rot. Bonds2

About N-pyridin-3-yl-1H-pyrazole-5-carboxamide

N-pyridin-3-yl-1H-pyrazole-5-carboxamide (PubChem CID 70501112) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is N-pyridin-3-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-1H-pyrazole-5-carboxamide
PubChem CID70501112
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC NameN-pyridin-3-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cccnc1)c1ccn[nH]1
InChIInChI=1S/C9H8N4O/c14-9(8-3-5-11-13-8)12-7-2-1-4-10-6-7/h1-6H,(H,11,13)(H,12,14)
InChIKeyDHNACMOLCIBKPN-UHFFFAOYSA-N
XLogP1.06
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-pyridin-3-yl-1H-pyrazole-5-carboxamide (CID 70501112) is N-pyridin-3-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-pyridin-3-yl-1H-pyrazole-5-carboxamide is O=C(Nc1cccnc1)c1ccn[nH]1.
What is the InChIKey of N-pyridin-3-yl-1H-pyrazole-5-carboxamide?
The InChIKey is DHNACMOLCIBKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c14-9(8-3-5-11-13-8)12-7-2-1-4-10-6-7/h1-6H,(H,11,13)(H,12,14).
What are the key properties of N-pyridin-3-yl-1H-pyrazole-5-carboxamide?
N-pyridin-3-yl-1H-pyrazole-5-carboxamide has a molecular weight of 188.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70501112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).