(3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

C17H29N5O2 — CID 99634463

IUPAC(3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCCc1cc(NC(=O)N2CC[C@H](CN3CCOCC3)C2)n(C)n1
InChIInChI=1S/C17H29N5O2/c1-3-4-15-11-16(20(2)19-15)18-17(23)22-6-5-14(13-22)12-21-7-9-24-10-8-21/h11,14H,3-10,12-13H2,1-2H3,(H,18,23)/t14-/m1/s1
InChIKeyARBWZWSXGLZJNN-CQSZACIVSA-N
MW335.45 g/mol
LogP1.56
Rot. Bonds5

About (3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

(3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 99634463) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID99634463
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name(3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCCCc1cc(NC(=O)N2CC[C@H](CN3CCOCC3)C2)n(C)n1
InChIInChI=1S/C17H29N5O2/c1-3-4-15-11-16(20(2)19-15)18-17(23)22-6-5-14(13-22)12-21-7-9-24-10-8-21/h11,14H,3-10,12-13H2,1-2H3,(H,18,23)/t14-/m1/s1
InChIKeyARBWZWSXGLZJNN-CQSZACIVSA-N
XLogP1.56
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (CID 99634463) is (3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is CCCc1cc(NC(=O)N2CC[C@H](CN3CCOCC3)C2)n(C)n1.
What is the InChIKey of (3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is ARBWZWSXGLZJNN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-3-4-15-11-16(20(2)19-15)18-17(23)22-6-5-14(13-22)12-21-7-9-24-10-8-21/h11,14H,3-10,12-13H2,1-2H3,(H,18,23)/t14-/m1/s1.
What are the key properties of (3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
(3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-methyl-3-propylpyrazol-5-yl)-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 99634463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).