1-(6-cyclopropylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

C16H21N5O — CID 171359052

IUPAC1-(6-cyclopropylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(CC2CN(c3cc(C4CC4)ncn3)CC2O)n[nH]1
InChIInChI=1S/C16H21N5O/c1-10-4-13(20-19-10)5-12-7-21(8-15(12)22)16-6-14(11-2-3-11)17-9-18-16/h4,6,9,11-12,15,22H,2-3,5,7-8H2,1H3,(H,19,20)
InChIKeyFHGOHNKNYOJJCH-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.43
Rot. Bonds4

About 1-(6-cyclopropylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

1-(6-cyclopropylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 171359052) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-(6-cyclopropylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(6-cyclopropylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
PubChem CID171359052
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-(6-cyclopropylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCc1cc(CC2CN(c3cc(C4CC4)ncn3)CC2O)n[nH]1
InChIInChI=1S/C16H21N5O/c1-10-4-13(20-19-10)5-12-7-21(8-15(12)22)16-6-14(11-2-3-11)17-9-18-16/h4,6,9,11-12,15,22H,2-3,5,7-8H2,1H3,(H,19,20)
InChIKeyFHGOHNKNYOJJCH-UHFFFAOYSA-N
XLogP1.43
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(6-cyclopropylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol (CID 171359052) is 1-(6-cyclopropylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(6-cyclopropylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(6-cyclopropylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol is Cc1cc(CC2CN(c3cc(C4CC4)ncn3)CC2O)n[nH]1.
What is the InChIKey of 1-(6-cyclopropylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is FHGOHNKNYOJJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-10-4-13(20-19-10)5-12-7-21(8-15(12)22)16-6-14(11-2-3-11)17-9-18-16/h4,6,9,11-12,15,22H,2-3,5,7-8H2,1H3,(H,19,20).
What are the key properties of 1-(6-cyclopropylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
1-(6-cyclopropylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 299.38 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropylpyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 171359052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).