(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C16H19N5O — CID 124944774

IUPAC(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cnc(C2CC2)nc1)N1CCCC[C@@H]1c1ccn[nH]1
InChIInChI=1S/C16H19N5O/c22-16(12-9-17-15(18-10-12)11-4-5-11)21-8-2-1-3-14(21)13-6-7-19-20-13/h6-7,9-11,14H,1-5,8H2,(H,19,20)/t14-/m1/s1
InChIKeyBMEQXGYVHXDRKZ-CQSZACIVSA-N
MW297.36 g/mol
LogP2.44
Rot. Bonds3

About (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 124944774) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID124944774
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESO=C(c1cnc(C2CC2)nc1)N1CCCC[C@@H]1c1ccn[nH]1
InChIInChI=1S/C16H19N5O/c22-16(12-9-17-15(18-10-12)11-4-5-11)21-8-2-1-3-14(21)13-6-7-19-20-13/h6-7,9-11,14H,1-5,8H2,(H,19,20)/t14-/m1/s1
InChIKeyBMEQXGYVHXDRKZ-CQSZACIVSA-N
XLogP2.44
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 124944774) is (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is O=C(c1cnc(C2CC2)nc1)N1CCCC[C@@H]1c1ccn[nH]1.
What is the InChIKey of (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is BMEQXGYVHXDRKZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N5O/c22-16(12-9-17-15(18-10-12)11-4-5-11)21-8-2-1-3-14(21)13-6-7-19-20-13/h6-7,9-11,14H,1-5,8H2,(H,19,20)/t14-/m1/s1.
What are the key properties of (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 297.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124944774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).