N-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

C16H23N7O — CID 138042294

IUPACN-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCC(C)(C)n1cc(NC(=O)N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C16H23N7O/c1-16(2,3)23-12-13(11-19-23)20-15(24)22-9-7-21(8-10-22)14-17-5-4-6-18-14/h4-6,11-12H,7-10H2,1-3H3,(H,20,24)
InChIKeyZGGBAOSEBAQZSQ-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.78
Rot. Bonds2

About N-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 138042294) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is N-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID138042294
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC NameN-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCC(C)(C)n1cc(NC(=O)N2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C16H23N7O/c1-16(2,3)23-12-13(11-19-23)20-15(24)22-9-7-21(8-10-22)14-17-5-4-6-18-14/h4-6,11-12H,7-10H2,1-3H3,(H,20,24)
InChIKeyZGGBAOSEBAQZSQ-UHFFFAOYSA-N
XLogP1.78
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108884869
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262
N-[(E)-3,3-dimethylbut-1-enyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108911512
N-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 146090777
N-(4-methylsulfonylphenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 118762508
2-methyl-2-(methylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 62835425
N-[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 158162896
N-[1-(4-tert-butylphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60543582
N-(4-chlorophenyl)-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108965652
4-(3-chloro-2-pyridinyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 47076609
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 138042294) is N-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is CC(C)(C)n1cc(NC(=O)N2CCN(c3ncccn3)CC2)cn1.
What is the InChIKey of N-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is ZGGBAOSEBAQZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-16(2,3)23-12-13(11-19-23)20-15(24)22-9-7-21(8-10-22)14-17-5-4-6-18-14/h4-6,11-12H,7-10H2,1-3H3,(H,20,24).
What are the key properties of N-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 138042294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).