1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide

C17H25N7O — CID 70710374

IUPAC1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NCCN2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C17H25N7O/c1-14(2)24-13-15(12-21-24)16(25)18-6-7-22-8-10-23(11-9-22)17-19-4-3-5-20-17/h3-5,12-14H,6-11H2,1-2H3,(H,18,25)
InChIKeyQJKWQLOKCKEIND-UHFFFAOYSA-N
MW343.44 g/mol
LogP0.81
Rot. Bonds6

About 1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide

1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 70710374) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
PubChem CID70710374
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NCCN2CCN(c3ncccn3)CC2)cn1
InChIInChI=1S/C17H25N7O/c1-14(2)24-13-15(12-21-24)16(25)18-6-7-22-8-10-23(11-9-22)17-19-4-3-5-20-17/h3-5,12-14H,6-11H2,1-2H3,(H,18,25)
InChIKeyQJKWQLOKCKEIND-UHFFFAOYSA-N
XLogP0.81
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 55930394
3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide
CID 118761818
(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide
CID 119902328
4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539439
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 91795590
1-tert-butyl-5-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide
CID 55930523
2-amino-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide;trihydrochloride
CID 119947504
1-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 55818891
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrazole-4-carboxamide
CID 15788033
3-methyl-5-propan-2-yl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-oxazole-4-carboxamide
CID 30889571
2-methyl-1-(3-methylbutyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 110977851

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide (CID 70710374) is 1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide is CC(C)n1cc(C(=O)NCCN2CCN(c3ncccn3)CC2)cn1.
What is the InChIKey of 1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is QJKWQLOKCKEIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-14(2)24-13-15(12-21-24)16(25)18-6-7-22-8-10-23(11-9-22)17-19-4-3-5-20-17/h3-5,12-14H,6-11H2,1-2H3,(H,18,25).
What are the key properties of 1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide?
1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 343.44 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 70710374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).