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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Related Compounds

5-piperidin-4-yl-1H-pyrazole-3-carboxylic acid
CID 83409074
5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119510443
6-oxo-N-(piperidin-4-ylmethyl)-1H-pyridazine-3-carboxamide
CID 103805411
5-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1H-pyrazole-3-carboxamide
CID 119391192
5-cyclopropyl-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119500515
N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide
CID 165436081
5-cyclopropyl-N-[3-(methylamino)propyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119430091
N-(4-bromo-3-methylphenyl)-5-piperidin-4-yl-1H-pyrazole-3-carboxamide
CID 112707582
5-cyclopropyl-N-(1-hydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 146085389
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 126917778
5-cyclopropyl-N-[[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 56711461

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).