N-piperidin-4-yl-1H-pyrazole-5-carboxamide

C9H14N4O — CID 62050322

IUPACN-piperidin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCNCC1)c1ccn[nH]1
InChIInChI=1S/C9H14N4O/c14-9(8-3-6-11-13-8)12-7-1-4-10-5-2-7/h3,6-7,10H,1-2,4-5H2,(H,11,13)(H,12,14)
InChIKeyWUYZRUOVGJFWLD-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.11
Rot. Bonds2

About N-piperidin-4-yl-1H-pyrazole-5-carboxamide

N-piperidin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 62050322) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-piperidin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID62050322
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-piperidin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCNCC1)c1ccn[nH]1
InChIInChI=1S/C9H14N4O/c14-9(8-3-6-11-13-8)12-7-1-4-10-5-2-7/h3,6-7,10H,1-2,4-5H2,(H,11,13)(H,12,14)
InChIKeyWUYZRUOVGJFWLD-UHFFFAOYSA-N
XLogP-0.11
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-piperidin-4-yl-1H-pyrazole-5-carboxamide (CID 62050322) is N-piperidin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-piperidin-4-yl-1H-pyrazole-5-carboxamide is O=C(NC1CCNCC1)c1ccn[nH]1.
What is the InChIKey of N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is WUYZRUOVGJFWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9(8-3-6-11-13-8)12-7-1-4-10-5-2-7/h3,6-7,10H,1-2,4-5H2,(H,11,13)(H,12,14).
What are the key properties of N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
N-piperidin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 194.24 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 62050322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).