N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide

C18H22N8O — CID 131910534

IUPACN-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCN1CCCC(c2ccccc2)C1)c1cn[nH]c1-n1cnnn1
InChIInChI=1S/C18H22N8O/c27-18(16-11-20-22-17(16)26-13-21-23-24-26)19-8-10-25-9-4-7-15(12-25)14-5-2-1-3-6-14/h1-3,5-6,11,13,15H,4,7-10,12H2,(H,19,27)(H,20,22)
InChIKeyPVJFBMVRSAVTHO-UHFFFAOYSA-N
MW366.43 g/mol
LogP0.99
Rot. Bonds6

About N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide

N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide (PubChem CID 131910534) has the molecular formula C18H22N8O and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
PubChem CID131910534
Molecular FormulaC18H22N8O
Molecular Weight366.43 g/mol
Exact Mass366.19
IUPAC NameN-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCCN1CCCC(c2ccccc2)C1)c1cn[nH]c1-n1cnnn1
InChIInChI=1S/C18H22N8O/c27-18(16-11-20-22-17(16)26-13-21-23-24-26)19-8-10-25-9-4-7-15(12-25)14-5-2-1-3-6-14/h1-3,5-6,11,13,15H,4,7-10,12H2,(H,19,27)(H,20,22)
InChIKeyPVJFBMVRSAVTHO-UHFFFAOYSA-N
XLogP0.99
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72921846
2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 131915442
2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide
CID 97445389
2,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 77085424
N-[2-(3-phenylpyrrolidin-1-yl)ethyl]-4-(tetrazol-1-ylmethyl)benzamide
CID 74248587
N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide
CID 95193540
N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 74249904
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 91787581
4-(2-hydroxyethyl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]piperazine-1-carboxamide
CID 121495919
2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide
CID 95230194
N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 91789362
4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 99946457

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide (CID 131910534) is N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide is O=C(NCCN1CCCC(c2ccccc2)C1)c1cn[nH]c1-n1cnnn1.
What is the InChIKey of N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is PVJFBMVRSAVTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O/c27-18(16-11-20-22-17(16)26-13-21-23-24-26)19-8-10-25-9-4-7-15(12-25)14-5-2-1-3-6-14/h1-3,5-6,11,13,15H,4,7-10,12H2,(H,19,27)(H,20,22).
What are the key properties of N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 131910534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).