N-[2-(3-aminopyrrolidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H17ClN6O — CID 58056244

IUPACN-[2-(3-aminopyrrolidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)C1
InChIInChI=1S/C17H17ClN6O/c18-11-2-3-15(23-7-4-12(19)10-23)14(8-11)22-17(25)13-9-21-24-6-1-5-20-16(13)24/h1-3,5-6,8-9,12H,4,7,10,19H2,(H,22,25)
InChIKeyPIKDFAHBMFJENX-UHFFFAOYSA-N
MW356.82 g/mol
LogP2.17
Rot. Bonds3

About N-[2-(3-aminopyrrolidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(3-aminopyrrolidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58056244) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is N-[2-(3-aminopyrrolidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-aminopyrrolidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58056244
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC NameN-[2-(3-aminopyrrolidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)C1
InChIInChI=1S/C17H17ClN6O/c18-11-2-3-15(23-7-4-12(19)10-23)14(8-11)22-17(25)13-9-21-24-6-1-5-20-16(13)24/h1-3,5-6,8-9,12H,4,7,10,19H2,(H,22,25)
InChIKeyPIKDFAHBMFJENX-UHFFFAOYSA-N
XLogP2.17
TPSA88.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopyrrolidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(3-aminopyrrolidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58056244) is N-[2-(3-aminopyrrolidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-aminopyrrolidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(3-aminopyrrolidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)C1.
What is the InChIKey of N-[2-(3-aminopyrrolidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PIKDFAHBMFJENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c18-11-2-3-15(23-7-4-12(19)10-23)14(8-11)22-17(25)13-9-21-24-6-1-5-20-16(13)24/h1-3,5-6,8-9,12H,4,7,10,19H2,(H,22,25).
What are the key properties of N-[2-(3-aminopyrrolidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(3-aminopyrrolidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 356.82 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopyrrolidin-1-yl)-5-chlorophenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58056244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).