butyl-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamic acid

C12H15N5O3 — CID 67460127

IUPACbutyl-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamic acid
SMILESCCCCN(C(=O)O)c1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C12H15N5O3/c1-2-3-6-16(12(19)20)9-8-13-11(15-10(9)18)17-7-4-5-14-17/h4-5,7-8H,2-3,6H2,1H3,(H,19,20)(H,13,15,18)
InChIKeyFIKLPZCKTAZVIL-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.24
Rot. Bonds5

About butyl-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamic acid

butyl-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamic acid (PubChem CID 67460127) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is butyl-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamic acid.

Molecular Properties

Compound Namebutyl-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamic acid
PubChem CID67460127
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Namebutyl-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamic acid
SMILESCCCCN(C(=O)O)c1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C12H15N5O3/c1-2-3-6-16(12(19)20)9-8-13-11(15-10(9)18)17-7-4-5-14-17/h4-5,7-8H,2-3,6H2,1H3,(H,19,20)(H,13,15,18)
InChIKeyFIKLPZCKTAZVIL-UHFFFAOYSA-N
XLogP1.24
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of butyl-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamic acid?
The IUPAC name of butyl-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamic acid (CID 67460127) is butyl-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamic acid.
What is the SMILES notation for butyl-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamic acid?
The canonical SMILES for butyl-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamic acid is CCCCN(C(=O)O)c1cnc(-n2cccn2)[nH]c1=O.
What is the InChIKey of butyl-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamic acid?
The InChIKey is FIKLPZCKTAZVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-2-3-6-16(12(19)20)9-8-13-11(15-10(9)18)17-7-4-5-14-17/h4-5,7-8H,2-3,6H2,1H3,(H,19,20)(H,13,15,18).
What are the key properties of butyl-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamic acid?
butyl-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamic acid has a molecular weight of 277.28 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamic acid is sourced from PubChem (CID 67460127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).