N-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

C13H17N7O — CID 71892815

IUPACN-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H17N7O/c21-13(16-10-11-2-5-17-18-11)20-8-6-19(7-9-20)12-14-3-1-4-15-12/h1-5H,6-10H2,(H,16,21)(H,17,18)
InChIKeyNZJNCPDCLJLQLF-UHFFFAOYSA-N
MW287.33 g/mol
LogP0.23
Rot. Bonds3

About N-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 71892815) has the molecular formula C13H17N7O and a molecular weight of 287.33 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID71892815
Molecular FormulaC13H17N7O
Molecular Weight287.33 g/mol
Exact Mass287.15
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NCc1ccn[nH]1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H17N7O/c21-13(16-10-11-2-5-17-18-11)20-8-6-19(7-9-20)12-14-3-1-4-15-12/h1-5H,6-10H2,(H,16,21)(H,17,18)
InChIKeyNZJNCPDCLJLQLF-UHFFFAOYSA-N
XLogP0.23
TPSA90.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 71892815) is N-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is O=C(NCc1ccn[nH]1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is NZJNCPDCLJLQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7O/c21-13(16-10-11-2-5-17-18-11)20-8-6-19(7-9-20)12-14-3-1-4-15-12/h1-5H,6-10H2,(H,16,21)(H,17,18).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 287.33 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 71892815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).