N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

C17H24N6O — CID 71892889

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCN(Cc3cccnc3)CC2)cn1
InChIInChI=1S/C17H24N6O/c1-21-13-16(12-20-21)4-6-19-17(24)23-9-7-22(8-10-23)14-15-3-2-5-18-11-15/h2-3,5,11-13H,4,6-10,14H2,1H3,(H,19,24)
InChIKeyINMZUJVWDCNBPB-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.88
Rot. Bonds5

About N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 71892889) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID71892889
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCN(Cc3cccnc3)CC2)cn1
InChIInChI=1S/C17H24N6O/c1-21-13-16(12-20-21)4-6-19-17(24)23-9-7-22(8-10-23)14-15-3-2-5-18-11-15/h2-3,5,11-13H,4,6-10,14H2,1H3,(H,19,24)
InChIKeyINMZUJVWDCNBPB-UHFFFAOYSA-N
XLogP0.88
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-difluorophenyl)methyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
CID 119065539
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
4-(pyridin-3-ylmethyl)-N-(2-pyrrol-1-ylethyl)piperazine-1-carboxamide
CID 122563289
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 51084810
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 119070661
N-(2-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 110872249
N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 75462280
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 111507374
N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149102
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023
4-N-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1,4-dicarboxamide
CID 51084807

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (CID 71892889) is N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is Cn1cc(CCNC(=O)N2CCN(Cc3cccnc3)CC2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is INMZUJVWDCNBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-21-13-16(12-20-21)4-6-19-17(24)23-9-7-22(8-10-23)14-15-3-2-5-18-11-15/h2-3,5,11-13H,4,6-10,14H2,1H3,(H,19,24).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 71892889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).