N-cyclopropyl-5-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H20FN5O2 — CID 67501573

IUPACN-cyclopropyl-5-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CC1)c1cnn2ccc(N3C[C@H](O)C[C@@H]3c3cccc(F)c3)nc12
InChIInChI=1S/C20H20FN5O2/c21-13-3-1-2-12(8-13)17-9-15(27)11-25(17)18-6-7-26-19(24-18)16(10-22-26)20(28)23-14-4-5-14/h1-3,6-8,10,14-15,17,27H,4-5,9,11H2,(H,23,28)/t15-,17-/m1/s1
InChIKeyDHEFBJXZYSKWIF-NVXWUHKLSA-N
MW381.41 g/mol
LogP2.07
Rot. Bonds4

About N-cyclopropyl-5-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-5-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67501573) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-cyclopropyl-5-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67501573
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC NameN-cyclopropyl-5-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CC1)c1cnn2ccc(N3C[C@H](O)C[C@@H]3c3cccc(F)c3)nc12
InChIInChI=1S/C20H20FN5O2/c21-13-3-1-2-12(8-13)17-9-15(27)11-25(17)18-6-7-26-19(24-18)16(10-22-26)20(28)23-14-4-5-14/h1-3,6-8,10,14-15,17,27H,4-5,9,11H2,(H,23,28)/t15-,17-/m1/s1
InChIKeyDHEFBJXZYSKWIF-NVXWUHKLSA-N
XLogP2.07
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67501573) is N-cyclopropyl-5-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CC1)c1cnn2ccc(N3C[C@H](O)C[C@@H]3c3cccc(F)c3)nc12.
What is the InChIKey of N-cyclopropyl-5-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DHEFBJXZYSKWIF-NVXWUHKLSA-N. The full InChI is InChI=1S/C20H20FN5O2/c21-13-3-1-2-12(8-13)17-9-15(27)11-25(17)18-6-7-26-19(24-18)16(10-22-26)20(28)23-14-4-5-14/h1-3,6-8,10,14-15,17,27H,4-5,9,11H2,(H,23,28)/t15-,17-/m1/s1.
What are the key properties of N-cyclopropyl-5-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-5-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 381.41 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67501573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).