(3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

C23H25N5O — CID 120917345

IUPAC(3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)ccc21
InChIInChI=1S/C23H25N5O/c1-3-28-21-7-5-4-6-17(21)18-10-16(8-9-22(18)28)26-23(29)20-13-24-12-19(20)15-11-25-27(2)14-15/h4-11,14,19-20,24H,3,12-13H2,1-2H3,(H,26,29)/t19-,20+/m1/s1
InChIKeyYRXBDLDWKBGAGM-UXHICEINSA-N
MW387.49 g/mol
LogP3.49
Rot. Bonds4

About (3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

(3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 120917345) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is (3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID120917345
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name(3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)ccc21
InChIInChI=1S/C23H25N5O/c1-3-28-21-7-5-4-6-17(21)18-10-16(8-9-22(18)28)26-23(29)20-13-24-12-19(20)15-11-25-27(2)14-15/h4-11,14,19-20,24H,3,12-13H2,1-2H3,(H,26,29)/t19-,20+/m1/s1
InChIKeyYRXBDLDWKBGAGM-UXHICEINSA-N
XLogP3.49
TPSA63.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 120917345) is (3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is CCn1c2ccccc2c2cc(NC(=O)[C@H]3CNC[C@@H]3c3cnn(C)c3)ccc21.
What is the InChIKey of (3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is YRXBDLDWKBGAGM-UXHICEINSA-N. The full InChI is InChI=1S/C23H25N5O/c1-3-28-21-7-5-4-6-17(21)18-10-16(8-9-22(18)28)26-23(29)20-13-24-12-19(20)15-11-25-27(2)14-15/h4-11,14,19-20,24H,3,12-13H2,1-2H3,(H,26,29)/t19-,20+/m1/s1.
What are the key properties of (3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
(3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(9-ethylcarbazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120917345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).