N-[1-butyl-3-(2-methoxyethyl)pyrazol-5-yl]-N-methylformamide

C12H21N3O2 — CID 155480305

IUPACN-[1-butyl-3-(2-methoxyethyl)pyrazol-5-yl]-N-methylformamide
SMILESCCCCn1nc(CCOC)cc1N(C)C=O
InChIInChI=1S/C12H21N3O2/c1-4-5-7-15-12(14(2)10-16)9-11(13-15)6-8-17-3/h9-10H,4-8H2,1-3H3
InChIKeyOWQKBIGJKLYCJU-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.46
Rot. Bonds8

About N-[1-butyl-3-(2-methoxyethyl)pyrazol-5-yl]-N-methylformamide

N-[1-butyl-3-(2-methoxyethyl)pyrazol-5-yl]-N-methylformamide (PubChem CID 155480305) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[1-butyl-3-(2-methoxyethyl)pyrazol-5-yl]-N-methylformamide.

Molecular Properties

Compound NameN-[1-butyl-3-(2-methoxyethyl)pyrazol-5-yl]-N-methylformamide
PubChem CID155480305
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[1-butyl-3-(2-methoxyethyl)pyrazol-5-yl]-N-methylformamide
SMILESCCCCn1nc(CCOC)cc1N(C)C=O
InChIInChI=1S/C12H21N3O2/c1-4-5-7-15-12(14(2)10-16)9-11(13-15)6-8-17-3/h9-10H,4-8H2,1-3H3
InChIKeyOWQKBIGJKLYCJU-UHFFFAOYSA-N
XLogP1.46
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[1-butyl-3-(2-ethoxyethyl)pyrazol-5-yl]-N-methylformamide
CID 155480475
3-butyl-1-(3-methoxypropyl)pyrazol-5-amine
CID 174636932
2-butyl-4-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridazin-3-one
CID 82443309
2-butyl-4-methyl-1,2,4-triazol-3-one
CID 115774482
2-(3-tert-butyl-1-pentylpyrazol-5-yl)ethyl formate
CID 174948916
2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine
CID 84718799
2-(5-chloro-3-propylpyrazol-1-yl)-N,N-dimethylethanamine
CID 66022661
2-(2-methoxyethyl)-5-methylpyrazole-3-carbaldehyde
CID 91803752
2-(1,5-dimethylpyrazol-3-yl)ethyl formate
CID 90049420
2-(3-methoxypropyl)-N,N-dipropylpyrazol-3-amine
CID 142163150
2-hexyl-5-methylpyrazole-3-carbaldehyde
CID 139675232
2-heptyl-5-methylpyrazole-3-carbaldehyde
CID 139675296

Frequently Asked Questions

What is the IUPAC name of N-[1-butyl-3-(2-methoxyethyl)pyrazol-5-yl]-N-methylformamide?
The IUPAC name of N-[1-butyl-3-(2-methoxyethyl)pyrazol-5-yl]-N-methylformamide (CID 155480305) is N-[1-butyl-3-(2-methoxyethyl)pyrazol-5-yl]-N-methylformamide.
What is the SMILES notation for N-[1-butyl-3-(2-methoxyethyl)pyrazol-5-yl]-N-methylformamide?
The canonical SMILES for N-[1-butyl-3-(2-methoxyethyl)pyrazol-5-yl]-N-methylformamide is CCCCn1nc(CCOC)cc1N(C)C=O.
What is the InChIKey of N-[1-butyl-3-(2-methoxyethyl)pyrazol-5-yl]-N-methylformamide?
The InChIKey is OWQKBIGJKLYCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-5-7-15-12(14(2)10-16)9-11(13-15)6-8-17-3/h9-10H,4-8H2,1-3H3.
What are the key properties of N-[1-butyl-3-(2-methoxyethyl)pyrazol-5-yl]-N-methylformamide?
N-[1-butyl-3-(2-methoxyethyl)pyrazol-5-yl]-N-methylformamide has a molecular weight of 239.32 g/mol, XLogP of 1.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-butyl-3-(2-methoxyethyl)pyrazol-5-yl]-N-methylformamide is sourced from PubChem (CID 155480305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).