N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide

C10H17N3O2 — CID 62333069

IUPACN-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CC(C)O)cnn1C
InChIInChI=1S/C10H17N3O2/c1-7(14)6-12(3)10(15)9-5-11-13(4)8(9)2/h5,7,14H,6H2,1-4H3
InChIKeyVVXMMGXFLKYSGW-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.18
Rot. Bonds3

About N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide

N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide (PubChem CID 62333069) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
PubChem CID62333069
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CC(C)O)cnn1C
InChIInChI=1S/C10H17N3O2/c1-7(14)6-12(3)10(15)9-5-11-13(4)8(9)2/h5,7,14H,6H2,1-4H3
InChIKeyVVXMMGXFLKYSGW-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide (CID 62333069) is N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide is Cc1c(C(=O)N(C)CC(C)O)cnn1C.
What is the InChIKey of N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide?
The InChIKey is VVXMMGXFLKYSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(14)6-12(3)10(15)9-5-11-13(4)8(9)2/h5,7,14H,6H2,1-4H3.
What are the key properties of N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide?
N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 62333069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).