(2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid

C19H30F3N5O3 — CID 127023907

IUPAC(2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)[C@@H]1CCN(C(=O)NC2CCCC2)[C@H]1Cc1cnn(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H29N5O.C2HF3O2/c1-20(2)15-8-9-22(17(23)19-14-6-4-5-7-14)16(15)10-13-11-18-21(3)12-13;3-2(4,5)1(6)7/h11-12,14-16H,4-10H2,1-3H3,(H,19,23);(H,6,7)/t15-,16+;/m1./s1
InChIKeyNTXYMJHFVBKEEN-RCPFAERMSA-N
MW433.48 g/mol
LogP2.25
Rot. Bonds4

About (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid

(2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 127023907) has the molecular formula C19H30F3N5O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID127023907
Molecular FormulaC19H30F3N5O3
Molecular Weight433.48 g/mol
Exact Mass433.23
IUPAC Name(2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)[C@@H]1CCN(C(=O)NC2CCCC2)[C@H]1Cc1cnn(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H29N5O.C2HF3O2/c1-20(2)15-8-9-22(17(23)19-14-6-4-5-7-14)16(15)10-13-11-18-21(3)12-13;3-2(4,5)1(6)7/h11-12,14-16H,4-10H2,1-3H3,(H,19,23);(H,6,7)/t15-,16+;/m1./s1
InChIKeyNTXYMJHFVBKEEN-RCPFAERMSA-N
XLogP2.25
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 127023907) is (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid is CN(C)[C@@H]1CCN(C(=O)NC2CCCC2)[C@H]1Cc1cnn(C)c1.O=C(O)C(F)(F)F.
What is the InChIKey of (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is NTXYMJHFVBKEEN-RCPFAERMSA-N. The full InChI is InChI=1S/C17H29N5O.C2HF3O2/c1-20(2)15-8-9-22(17(23)19-14-6-4-5-7-14)16(15)10-13-11-18-21(3)12-13;3-2(4,5)1(6)7/h11-12,14-16H,4-10H2,1-3H3,(H,19,23);(H,6,7)/t15-,16+;/m1./s1.
What are the key properties of (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid?
(2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 433.48 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 127023907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).