N-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide

C12H21N3O2 — CID 54916720

IUPACN-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(CCCO)C(C)C)cnn1C
InChIInChI=1S/C12H21N3O2/c1-9(2)15(6-5-7-16)12(17)11-8-13-14(4)10(11)3/h8-9,16H,5-7H2,1-4H3
InChIKeyISIXUUCLYXDKCK-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.96
Rot. Bonds5

About N-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide

N-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 54916720) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID54916720
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(CCCO)C(C)C)cnn1C
InChIInChI=1S/C12H21N3O2/c1-9(2)15(6-5-7-16)12(17)11-8-13-14(4)10(11)3/h8-9,16H,5-7H2,1-4H3
InChIKeyISIXUUCLYXDKCK-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1,5-dimethylpyrazole-4-carbonyl)-propan-2-ylamino]butanoic acid
CID 60827421
N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61234511
N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 62333069
4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 106037879
N-(3-hydroxypropyl)-2-iodo-N-propan-2-ylbenzamide
CID 61039022
N-(5-bromopentyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 107206006
3-chloro-N-(3-hydroxypropyl)-2-methyl-N-propan-2-ylbenzamide
CID 107097730
N-(2-bromoethyl)-N-butyl-1,5-dimethylpyrazole-4-carboxamide
CID 80658700
2,3,4,5,6-pentafluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 61040258
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 43547822
1-amino-N-(3-hydroxypropyl)-N-propan-2-ylisoquinoline-4-carboxamide
CID 106771545
N-(2-bromoethyl)-1,5-dimethyl-N-propylpyrazole-4-carboxamide
CID 80665959

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide (CID 54916720) is N-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)N(CCCO)C(C)C)cnn1C.
What is the InChIKey of N-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is ISIXUUCLYXDKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)15(6-5-7-16)12(17)11-8-13-14(4)10(11)3/h8-9,16H,5-7H2,1-4H3.
What are the key properties of N-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide?
N-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 54916720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).