N-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H13ClN4O2 — CID 154800069

IUPACN-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)Nc3ccc(CO)c(Cl)c3)c2n1
InChIInChI=1S/C15H13ClN4O2/c1-9-4-5-20-14(18-9)12(7-17-20)15(22)19-11-3-2-10(8-21)13(16)6-11/h2-7,21H,8H2,1H3,(H,19,22)
InChIKeyXMKKHBFIYAWGCC-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.44
Rot. Bonds3

About N-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 154800069) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is N-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID154800069
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC NameN-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccn2ncc(C(=O)Nc3ccc(CO)c(Cl)c3)c2n1
InChIInChI=1S/C15H13ClN4O2/c1-9-4-5-20-14(18-9)12(7-17-20)15(22)19-11-3-2-10(8-21)13(16)6-11/h2-7,21H,8H2,1H3,(H,19,22)
InChIKeyXMKKHBFIYAWGCC-UHFFFAOYSA-N
XLogP2.44
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136523125
N-[2-(dimethylamino)quinolin-6-yl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122133688
[3-chloro-4-(hydroxymethyl)phenyl]carbamic acid
CID 18621844
5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 136512225
2,2-dimethyl-3-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119249566
4-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 119188230
1-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119132499
5-methyl-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56787176
5-amino-N-[5-(hydroxymethyl)thiophen-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145153222
3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
CID 119211732
2-chloro-N-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)acetamide
CID 166432100
2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide
CID 167990561

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 154800069) is N-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccn2ncc(C(=O)Nc3ccc(CO)c(Cl)c3)c2n1.
What is the InChIKey of N-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XMKKHBFIYAWGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-9-4-5-20-14(18-9)12(7-17-20)15(22)19-11-3-2-10(8-21)13(16)6-11/h2-7,21H,8H2,1H3,(H,19,22).
What are the key properties of N-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 316.75 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 154800069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).