N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide

C13H20N4O — CID 112708128

IUPACN-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCC1CC1)c1cc(C2CCNCC2)[nH]n1
InChIInChI=1S/C13H20N4O/c18-13(15-8-9-1-2-9)12-7-11(16-17-12)10-3-5-14-6-4-10/h7,9-10,14H,1-6,8H2,(H,15,18)(H,16,17)
InChIKeyVDEXDXRBTHHPND-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.02
Rot. Bonds4

About N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide

N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide (PubChem CID 112708128) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
PubChem CID112708128
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCC1CC1)c1cc(C2CCNCC2)[nH]n1
InChIInChI=1S/C13H20N4O/c18-13(15-8-9-1-2-9)12-7-11(16-17-12)10-3-5-14-6-4-10/h7,9-10,14H,1-6,8H2,(H,15,18)(H,16,17)
InChIKeyVDEXDXRBTHHPND-UHFFFAOYSA-N
XLogP1.02
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide (CID 112708128) is N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide is O=C(NCC1CC1)c1cc(C2CCNCC2)[nH]n1.
What is the InChIKey of N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide?
The InChIKey is VDEXDXRBTHHPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-13(15-8-9-1-2-9)12-7-11(16-17-12)10-3-5-14-6-4-10/h7,9-10,14H,1-6,8H2,(H,15,18)(H,16,17).
What are the key properties of N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide?
N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 112708128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).