[1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate

C10H13N3O4 — CID 90197659

IUPAC[1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate
SMILESCn1ncc(C(=O)N2CCCC2)c1OC(=O)O
InChIInChI=1S/C10H13N3O4/c1-12-9(17-10(15)16)7(6-11-12)8(14)13-4-2-3-5-13/h6H,2-5H2,1H3,(H,15,16)
InChIKeyOBLBEOOLQDUECY-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.71
Rot. Bonds2

About [1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate

[1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate (PubChem CID 90197659) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is [1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate.

Molecular Properties

Compound Name[1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate
PubChem CID90197659
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name[1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate
SMILESCn1ncc(C(=O)N2CCCC2)c1OC(=O)O
InChIInChI=1S/C10H13N3O4/c1-12-9(17-10(15)16)7(6-11-12)8(14)13-4-2-3-5-13/h6H,2-5H2,1H3,(H,15,16)
InChIKeyOBLBEOOLQDUECY-UHFFFAOYSA-N
XLogP0.71
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(3-phenylpyrazol-1-yl)ethyl]carbamate
CID 118305470
cyclopentyl-[4-(1,5-dimethylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 135112462
(4-chloropiperidin-1-yl)-(1,5-dimethylpyrazol-4-yl)methanone
CID 63390631
(1,5-dimethylpyrazol-4-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51310306
[4-(azetidine-1-carbonyl)-1-methylpyrazol-5-yl] N-[2-(5-phenyl-2-pyridin-3-yl-1,2,4-triazol-3-yl)ethyl]carbamate
CID 118305448
azetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone
CID 169156016
(1,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51309191
1-ethyl-5-(pyrrolidine-1-carbonyl)pyrazole-4-carboxylic acid
CID 117219067
(5-amino-1-methylpyrazol-4-yl)-(4-propan-2-ylazepan-1-yl)methanone
CID 115330917
(3S)-1-(1-methyl-5-phenylpyrazole-4-carbonyl)piperidine-3-carboxylic acid
CID 120514251
(1,5-dimethylpyrazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 51309247

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate?
The IUPAC name of [1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate (CID 90197659) is [1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate.
What is the SMILES notation for [1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate?
The canonical SMILES for [1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate is Cn1ncc(C(=O)N2CCCC2)c1OC(=O)O.
What is the InChIKey of [1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate?
The InChIKey is OBLBEOOLQDUECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-12-9(17-10(15)16)7(6-11-12)8(14)13-4-2-3-5-13/h6H,2-5H2,1H3,(H,15,16).
What are the key properties of [1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate?
[1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate has a molecular weight of 239.23 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl] hydrogen carbonate is sourced from PubChem (CID 90197659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).