4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide

C18H26N6O — CID 60595616

IUPAC4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H26N6O/c1-13(17-14(2)21-22(4)15(17)3)20-18(25)24-11-9-23(10-12-24)16-5-7-19-8-6-16/h5-8,13H,9-12H2,1-4H3,(H,20,25)
InChIKeyXUTYXVMNFCWNSO-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.02
Rot. Bonds3

About 4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide

4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide (PubChem CID 60595616) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
PubChem CID60595616
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
SMILESCc1nn(C)c(C)c1C(C)NC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C18H26N6O/c1-13(17-14(2)21-22(4)15(17)3)20-18(25)24-11-9-23(10-12-24)16-5-7-19-8-6-16/h5-8,13H,9-12H2,1-4H3,(H,20,25)
InChIKeyXUTYXVMNFCWNSO-UHFFFAOYSA-N
XLogP2.02
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(4-pyridin-4-ylpiperazin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
CID 97191653
N-[(1R)-1-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126429294
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 72938073
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 94173692
N-hexan-3-yl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 122562374
4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433718
N-(1-methylpyrazol-3-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86916240
1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 60595650
N-[(1S)-1-(1-methyltetrazol-5-yl)ethyl]-4-phenylpiperazine-1-carboxamide
CID 124843892
2-cyano-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 121494764
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986799

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide (CID 60595616) is 4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide is Cc1nn(C)c(C)c1C(C)NC(=O)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is XUTYXVMNFCWNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13(17-14(2)21-22(4)15(17)3)20-18(25)24-11-9-23(10-12-24)16-5-7-19-8-6-16/h5-8,13H,9-12H2,1-4H3,(H,20,25).
What are the key properties of 4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide?
4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 60595616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).