4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide

C8H10F3N3O — CID 63228691

IUPAC4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NCCC(F)(F)F)c1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)1-2-13-7(15)6-3-5(12)4-14-6/h3-4,14H,1-2,12H2,(H,13,15)
InChIKeyMTXXEEAHKXBPEO-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.28
Rot. Bonds3

About 4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide

4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide (PubChem CID 63228691) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide
PubChem CID63228691
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide
SMILESNc1c[nH]c(C(=O)NCCC(F)(F)F)c1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)1-2-13-7(15)6-3-5(12)4-14-6/h3-4,14H,1-2,12H2,(H,13,15)
InChIKeyMTXXEEAHKXBPEO-UHFFFAOYSA-N
XLogP1.28
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-propan-2-yloxyethyl)-1H-pyrrole-2-carboxamide
CID 104758195
4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide
CID 54967566
4-amino-N-[3-(diethylamino)propyl]-1H-pyrrole-2-carboxamide
CID 43642296
4-amino-N-(3-ethoxypropyl)-1H-pyrrole-2-carboxamide
CID 43642461
4-amino-N-(2-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43643618
4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide
CID 62378932
4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 106033230
4-amino-N-[3-(cyclopropylmethoxy)propyl]-1H-pyrrole-2-carboxamide
CID 114097509
4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43642725
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 114185674
4-amino-N-[2-(1-methylimidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 61213141
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide (CID 63228691) is 4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide is Nc1c[nH]c(C(=O)NCCC(F)(F)F)c1.
What is the InChIKey of 4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is MTXXEEAHKXBPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)1-2-13-7(15)6-3-5(12)4-14-6/h3-4,14H,1-2,12H2,(H,13,15).
What are the key properties of 4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 221.18 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 63228691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).