N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H19ClN6O — CID 58056242

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C18H19ClN6O/c1-23-7-9-24(10-8-23)16-4-3-13(19)11-15(16)22-18(26)14-12-21-25-6-2-5-20-17(14)25/h2-6,11-12H,7-10H2,1H3,(H,22,26)
InChIKeyHGAYHTMYOKMQAZ-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.39
Rot. Bonds3

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58056242) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58056242
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1
InChIInChI=1S/C18H19ClN6O/c1-23-7-9-24(10-8-23)16-4-3-13(19)11-15(16)22-18(26)14-12-21-25-6-2-5-20-17(14)25/h2-6,11-12H,7-10H2,1H3,(H,22,26)
InChIKeyHGAYHTMYOKMQAZ-UHFFFAOYSA-N
XLogP2.39
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58056242) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cccnc23)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HGAYHTMYOKMQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-23-7-9-24(10-8-23)16-4-3-13(19)11-15(16)22-18(26)14-12-21-25-6-2-5-20-17(14)25/h2-6,11-12H,7-10H2,1H3,(H,22,26).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58056242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).