N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide

C18H25N5O — CID 126830172

IUPACN,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(c2cc(-c3ccncc3)n[nH]2)CC1
InChIInChI=1S/C18H25N5O/c1-3-22(4-2)18(24)23-11-7-15(8-12-23)17-13-16(20-21-17)14-5-9-19-10-6-14/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3,(H,20,21)
InChIKeyPUIRGLUJUSEZML-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.11
Rot. Bonds4

About N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide

N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide (PubChem CID 126830172) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide
PubChem CID126830172
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCC(c2cc(-c3ccncc3)n[nH]2)CC1
InChIInChI=1S/C18H25N5O/c1-3-22(4-2)18(24)23-11-7-15(8-12-23)17-13-16(20-21-17)14-5-9-19-10-6-14/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3,(H,20,21)
InChIKeyPUIRGLUJUSEZML-UHFFFAOYSA-N
XLogP3.11
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

GW-6604
CID 9861063
1-[3-(2-Methylpyridin-4-Yl)-1~{h}-Pyrazolo[4,3-C]pyridin-6-Yl]-3-(Phenylmethyl)urea
CID 71555247
3-(1H-pyrazol-5-yl)pyridine
CID 7074967
2-(4-Isopropylphenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11717091
(3-(pyridin-3-yl)-1H-pyrazol-5-yl)methanamine
CID 11993870
4-[3-(1-Methylethyl)-1h-Pyrazol-4-Yl]-N-(1-Methylpiperidin-4-Yl)pyrimidin-2-Amine
CID 49800099
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(2-phenylethyl)urea
CID 71555243
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555244
1-[3-(2,6-dimethyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[(1R)-1-phenylethyl]urea
CID 71555534
2-methyl-5-(1H-pyrazol-5-yl)pyridine
CID 2805912
1-Benzyl-4-[3-(Pyridin-4-Yl)-2,4,6,7-Tetrahydro-5h-Pyrazolo[4,3-C]pyridin-5-Yl]pyridin-2(1h)-One
CID 91819624
4-[3-(Pyridin-4-Yl)-2,4,6,7-Tetrahydro-5h-Pyrazolo[4,3-C]pyridin-5-Yl]pyridin-2(1h)-One
CID 91819626

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide (CID 126830172) is N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide is CCN(CC)C(=O)N1CCC(c2cc(-c3ccncc3)n[nH]2)CC1.
What is the InChIKey of N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is PUIRGLUJUSEZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-22(4-2)18(24)23-11-7-15(8-12-23)17-13-16(20-21-17)14-5-9-19-10-6-14/h5-6,9-10,13,15H,3-4,7-8,11-12H2,1-2H3,(H,20,21).
What are the key properties of N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide?
N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 126830172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).