N-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

C17H25N7O — CID 146090777

IUPACN-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCCC(C)n1ncc(NC(=O)N2CCN(c3ncccn3)CC2)c1C
InChIInChI=1S/C17H25N7O/c1-4-13(2)24-14(3)15(12-20-24)21-17(25)23-10-8-22(9-11-23)16-18-6-5-7-19-16/h5-7,12-13H,4,8-11H2,1-3H3,(H,21,25)
InChIKeyDEWLDLVMYZNOER-UHFFFAOYSA-N
MW343.44 g/mol
LogP2.31
Rot. Bonds4

About N-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 146090777) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is N-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID146090777
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC NameN-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCCC(C)n1ncc(NC(=O)N2CCN(c3ncccn3)CC2)c1C
InChIInChI=1S/C17H25N7O/c1-4-13(2)24-14(3)15(12-20-24)21-17(25)23-10-8-22(9-11-23)16-18-6-5-7-19-16/h5-7,12-13H,4,8-11H2,1-3H3,(H,21,25)
InChIKeyDEWLDLVMYZNOER-UHFFFAOYSA-N
XLogP2.31
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 146090777) is N-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is CCC(C)n1ncc(NC(=O)N2CCN(c3ncccn3)CC2)c1C.
What is the InChIKey of N-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is DEWLDLVMYZNOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-4-13(2)24-14(3)15(12-20-24)21-17(25)23-10-8-22(9-11-23)16-18-6-5-7-19-16/h5-7,12-13H,4,8-11H2,1-3H3,(H,21,25).
What are the key properties of N-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 343.44 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butan-2-yl-5-methylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 146090777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).