1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide

C16H24N4O — CID 90649604

IUPAC1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)c1ccn(C(C)(C)C)c1
InChIInChI=1S/C16H24N4O/c1-11-14(12(2)19-18-11)6-8-17-15(21)13-7-9-20(10-13)16(3,4)5/h7,9-10H,6,8H2,1-5H3,(H,17,21)(H,18,19)
InChIKeyIECHODJDVFVJRC-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.56
Rot. Bonds4

About 1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide

1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide (PubChem CID 90649604) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide
PubChem CID90649604
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide
SMILESCc1n[nH]c(C)c1CCNC(=O)c1ccn(C(C)(C)C)c1
InChIInChI=1S/C16H24N4O/c1-11-14(12(2)19-18-11)6-8-17-15(21)13-7-9-20(10-13)16(3,4)5/h7,9-10H,6,8H2,1-5H3,(H,17,21)(H,18,19)
InChIKeyIECHODJDVFVJRC-UHFFFAOYSA-N
XLogP2.56
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
2-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 110717101
1-(2,2-dimethylpropyl)-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]urea
CID 110747748
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110717138
N-(2-amino-2-oxoethyl)-1-tert-butylpyrrole-3-carboxamide
CID 155037522
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 1460215
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(methylsulfamoyl)pyridine-3-carboxamide
CID 126828084
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-(pentanoylamino)benzamide
CID 50958341
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-1H-pyrazole-4-carboxamide
CID 77094251
2,4-dichloro-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 110717146
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide
CID 110731036
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-methyl-1,3-oxazole-2-carboxamide
CID 112529920

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide (CID 90649604) is 1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide is Cc1n[nH]c(C)c1CCNC(=O)c1ccn(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide?
The InChIKey is IECHODJDVFVJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-11-14(12(2)19-18-11)6-8-17-15(21)13-7-9-20(10-13)16(3,4)5/h7,9-10H,6,8H2,1-5H3,(H,17,21)(H,18,19).
What are the key properties of 1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide?
1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide has a molecular weight of 288.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]pyrrole-3-carboxamide is sourced from PubChem (CID 90649604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).