N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide

C10H17N3O3 — CID 61234511

IUPACN,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(CCO)CCO)cnn1C
InChIInChI=1S/C10H17N3O3/c1-8-9(7-11-12(8)2)10(16)13(3-5-14)4-6-15/h7,14-15H,3-6H2,1-2H3
InChIKeyWQMZNBFPFPMRNX-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.84
Rot. Bonds5

About N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide

N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 61234511) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID61234511
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(CCO)CCO)cnn1C
InChIInChI=1S/C10H17N3O3/c1-8-9(7-11-12(8)2)10(16)13(3-5-14)4-6-15/h7,14-15H,3-6H2,1-2H3
InChIKeyWQMZNBFPFPMRNX-UHFFFAOYSA-N
XLogP-0.84
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromoethyl)-1,5-dimethyl-N-propylpyrazole-4-carboxamide
CID 80665959
N-(3-hydroxypropyl)-1,5-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 54916720
N-(2-bromoethyl)-N-butyl-1,5-dimethylpyrazole-4-carboxamide
CID 80658700
N-(2-aminophenyl)-N-(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 43547822
N-(2-hydroxypropyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 62333069
5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 104625736
N-(5-bromopentyl)-N,1,5-trimethylpyrazole-4-carboxamide
CID 107206006
2-[(1,5-dimethylpyrazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78925294
1-(4-bromophenyl)-N-butyl-N-(2-hydroxyethyl)-5-methylpyrazole-4-carboxamide
CID 78855646
1,5-dimethyl-N-(piperidin-4-ylmethyl)-N-propylpyrazole-4-carboxamide
CID 79720334
4-[(1,5-dimethylpyrazole-4-carbonyl)-propan-2-ylamino]butanoic acid
CID 60827421
N-(cyclopropylmethyl)-1,5-dimethyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 115532694

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide (CID 61234511) is N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)N(CCO)CCO)cnn1C.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is WQMZNBFPFPMRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-8-9(7-11-12(8)2)10(16)13(3-5-14)4-6-15/h7,14-15H,3-6H2,1-2H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide?
N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 227.26 g/mol, XLogP of -0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 61234511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).