3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide

C9H14N4O4 — CID 163353826

IUPAC3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide
SMILESO=C(NCCO)c1cc(C(=O)NCCO)[nH]n1
InChIInChI=1S/C9H14N4O4/c14-3-1-10-8(16)6-5-7(13-12-6)9(17)11-2-4-15/h5,14-15H,1-4H2,(H,10,16)(H,11,17)(H,12,13)
InChIKeyJTFGECNKLCSDTB-UHFFFAOYSA-N
MW242.23 g/mol
LogP-2.15
Rot. Bonds6

About 3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide

3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide (PubChem CID 163353826) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide
PubChem CID163353826
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide
SMILESO=C(NCCO)c1cc(C(=O)NCCO)[nH]n1
InChIInChI=1S/C9H14N4O4/c14-3-1-10-8(16)6-5-7(13-12-6)9(17)11-2-4-15/h5,14-15H,1-4H2,(H,10,16)(H,11,17)(H,12,13)
InChIKeyJTFGECNKLCSDTB-UHFFFAOYSA-N
XLogP-2.15
TPSA127.34 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-2.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,5-N-dibutyl-1H-pyrazole-3,5-dicarboxamide
CID 71346088
N-(2-hydroxyethyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43392945
3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide
CID 106840125
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 110484276
N-(2-fluoroethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 130978682
N-(4-hydroxybutyl)-3-(2-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 136554520
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
N-(6-bromohexyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 141446683
5-(furan-2-yl)-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 78854308
3-amino-N-pentyl-1H-pyrazole-5-carboxamide
CID 64525391
3-[(5-propyl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 115596365
N-(3-hydroxypropyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71569743

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide (CID 163353826) is 3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide is O=C(NCCO)c1cc(C(=O)NCCO)[nH]n1.
What is the InChIKey of 3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide?
The InChIKey is JTFGECNKLCSDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c14-3-1-10-8(16)6-5-7(13-12-6)9(17)11-2-4-15/h5,14-15H,1-4H2,(H,10,16)(H,11,17)(H,12,13).
What are the key properties of 3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide?
3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide has a molecular weight of 242.23 g/mol, XLogP of -2.15, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(2-hydroxyethyl)-1H-pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 163353826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).