(2-cyclopropyl-1H-pyrrol-3-yl)-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C18H23N5O — CID 120965728

IUPAC(2-cyclopropyl-1H-pyrrol-3-yl)-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cc[nH]c1C1CC1)N1CCC[C@H]1Cn1cc(C2CC2)nn1
InChIInChI=1S/C18H23N5O/c24-18(15-7-8-19-17(15)13-5-6-13)23-9-1-2-14(23)10-22-11-16(20-21-22)12-3-4-12/h7-8,11-14,19H,1-6,9-10H2/t14-/m0/s1
InChIKeyWECOFTLWPRCBGP-AWEZNQCLSA-N
MW325.42 g/mol
LogP2.67
Rot. Bonds5

About (2-cyclopropyl-1H-pyrrol-3-yl)-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methanone

(2-cyclopropyl-1H-pyrrol-3-yl)-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 120965728) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (2-cyclopropyl-1H-pyrrol-3-yl)-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropyl-1H-pyrrol-3-yl)-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID120965728
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(2-cyclopropyl-1H-pyrrol-3-yl)-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESO=C(c1cc[nH]c1C1CC1)N1CCC[C@H]1Cn1cc(C2CC2)nn1
InChIInChI=1S/C18H23N5O/c24-18(15-7-8-19-17(15)13-5-6-13)23-9-1-2-14(23)10-22-11-16(20-21-22)12-3-4-12/h7-8,11-14,19H,1-6,9-10H2/t14-/m0/s1
InChIKeyWECOFTLWPRCBGP-AWEZNQCLSA-N
XLogP2.67
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 120949851
[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-(4-hydroxyisoquinolin-3-yl)methanone
CID 154740888
1-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 120949855
[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1,3-benzoxazol-5-yl)methanone
CID 120949803
(2S)-N-[(2-amino-2-adamantyl)methyl]-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidine-1-carboxamide
CID 128835493
2-chloro-4-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 136583262
(5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949596
(2R)-1-[2-(4-cyclopropyltriazol-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119371665
(2-chlorofuran-3-yl)-[(2S)-2-[[4-(hydroxymethyl)triazol-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 120949943
2-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 138004066
5-[[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyridine-3-carboxylic acid
CID 154788648
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607665

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-1H-pyrrol-3-yl)-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2-cyclopropyl-1H-pyrrol-3-yl)-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 120965728) is (2-cyclopropyl-1H-pyrrol-3-yl)-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropyl-1H-pyrrol-3-yl)-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropyl-1H-pyrrol-3-yl)-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methanone is O=C(c1cc[nH]c1C1CC1)N1CCC[C@H]1Cn1cc(C2CC2)nn1.
What is the InChIKey of (2-cyclopropyl-1H-pyrrol-3-yl)-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is WECOFTLWPRCBGP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18(15-7-8-19-17(15)13-5-6-13)23-9-1-2-14(23)10-22-11-16(20-21-22)12-3-4-12/h7-8,11-14,19H,1-6,9-10H2/t14-/m0/s1.
What are the key properties of (2-cyclopropyl-1H-pyrrol-3-yl)-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
(2-cyclopropyl-1H-pyrrol-3-yl)-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-1H-pyrrol-3-yl)-[(2S)-2-[(4-cyclopropyltriazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 120965728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).