N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C14H16N4O — CID 71700787

IUPACN-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCCc1ccccn1)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H16N4O/c19-14(13-11-5-3-6-12(11)17-18-13)16-9-7-10-4-1-2-8-15-10/h1-2,4,8H,3,5-7,9H2,(H,16,19)(H,17,18)
InChIKeyBGBUPPHKWFTPCU-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.27
Rot. Bonds4

About N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 71700787) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID71700787
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NCCc1ccccn1)c1n[nH]c2c1CCC2
InChIInChI=1S/C14H16N4O/c19-14(13-11-5-3-6-12(11)17-18-13)16-9-7-10-4-1-2-8-15-10/h1-2,4,8H,3,5-7,9H2,(H,16,19)(H,17,18)
InChIKeyBGBUPPHKWFTPCU-UHFFFAOYSA-N
XLogP1.27
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-naphthalen-1-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112821632
N-(2-naphthalen-2-ylethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112821536
N-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110898774
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333
6-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide;formic acid
CID 171322096
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
N-[2-(cyclopropanecarbonylamino)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 78880342
N-(3-imidazo[1,5-a]pyridin-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110630950
N-[3-(1H-benzimidazol-2-yl)propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 71705377
N-[3-(2-methoxyphenyl)propyl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 16677175
N-(1H-1,2,4-triazol-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 146086697
N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820541

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 71700787) is N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(NCCc1ccccn1)c1n[nH]c2c1CCC2.
What is the InChIKey of N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is BGBUPPHKWFTPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(13-11-5-3-6-12(11)17-18-13)16-9-7-10-4-1-2-8-15-10/h1-2,4,8H,3,5-7,9H2,(H,16,19)(H,17,18).
What are the key properties of N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 71700787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).