N-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide

C18H28N6O — CID 136562918

IUPACN-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCC(C)CCn1nccc1NC(=O)N1CCC(c2ccn(C)n2)CC1
InChIInChI=1S/C18H28N6O/c1-14(2)5-13-24-17(4-9-19-24)20-18(25)23-11-6-15(7-12-23)16-8-10-22(3)21-16/h4,8-10,14-15H,5-7,11-13H2,1-3H3,(H,20,25)
InChIKeyYNNNYSHBBWKCDW-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.07
Rot. Bonds5

About N-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide

N-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 136562918) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
PubChem CID136562918
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC NameN-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
SMILESCC(C)CCn1nccc1NC(=O)N1CCC(c2ccn(C)n2)CC1
InChIInChI=1S/C18H28N6O/c1-14(2)5-13-24-17(4-9-19-24)20-18(25)23-11-6-15(7-12-23)16-8-10-22(3)21-16/h4,8-10,14-15H,5-7,11-13H2,1-3H3,(H,20,25)
InChIKeyYNNNYSHBBWKCDW-UHFFFAOYSA-N
XLogP3.07
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 111102205
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CID 118779305
2-(4-fluorophenyl)-N-[2-(3-methylbutyl)pyrazol-3-yl]azetidine-1-carboxamide
CID 118770078
N-[4-[(dimethylamino)methyl]-2-pyridinyl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 138025916
N-(2-propylpyrazol-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 127447830
(3S,4S)-4-(1,3-benzodioxol-5-yl)-3-hydroxy-N-[2-(2-methylpropyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 72941363
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
N-(3,4-dihydro-1H-isochromen-4-ylmethyl)-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 166285082
N-(2-propan-2-ylpyrazol-3-yl)-4-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 75388055
tert-butyl 3-(1-methylpyrazol-3-yl)pyrrolidine-1-carboxylate
CID 148649807
N-(1-methyl-6-oxopyridazin-3-yl)-3-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 138025521
1-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]-4-phenylbutane-1,4-dione
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide (CID 136562918) is N-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide is CC(C)CCn1nccc1NC(=O)N1CCC(c2ccn(C)n2)CC1.
What is the InChIKey of N-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is YNNNYSHBBWKCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O/c1-14(2)5-13-24-17(4-9-19-24)20-18(25)23-11-6-15(7-12-23)16-8-10-22(3)21-16/h4,8-10,14-15H,5-7,11-13H2,1-3H3,(H,20,25).
What are the key properties of N-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide?
N-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutyl)pyrazol-3-yl]-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136562918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).