(4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone

C15H25ClN4O3 — CID 70767760

IUPAC(4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCc1nn(C)c(C(=O)N2C[C@@H](CN(C)CCO)[C@@H](CO)C2)c1Cl
InChIInChI=1S/C15H25ClN4O3/c1-10-13(16)14(19(3)17-10)15(23)20-7-11(12(8-20)9-22)6-18(2)4-5-21/h11-12,21-22H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyUEECZQVKSRSTSO-VXGBXAGGSA-N
MW344.84 g/mol
LogP-0.01
Rot. Bonds6

About (4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone

(4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 70767760) has the molecular formula C15H25ClN4O3 and a molecular weight of 344.84 g/mol. Its IUPAC name is (4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID70767760
Molecular FormulaC15H25ClN4O3
Molecular Weight344.84 g/mol
Exact Mass344.16
IUPAC Name(4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCc1nn(C)c(C(=O)N2C[C@@H](CN(C)CCO)[C@@H](CO)C2)c1Cl
InChIInChI=1S/C15H25ClN4O3/c1-10-13(16)14(19(3)17-10)15(23)20-7-11(12(8-20)9-22)6-18(2)4-5-21/h11-12,21-22H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyUEECZQVKSRSTSO-VXGBXAGGSA-N
XLogP-0.01
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 70767760) is (4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone is Cc1nn(C)c(C(=O)N2C[C@@H](CN(C)CCO)[C@@H](CO)C2)c1Cl.
What is the InChIKey of (4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is UEECZQVKSRSTSO-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H25ClN4O3/c1-10-13(16)14(19(3)17-10)15(23)20-7-11(12(8-20)9-22)6-18(2)4-5-21/h11-12,21-22H,4-9H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 344.84 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1,3-dimethylpyrazol-5-yl)-[(3R,4R)-3-[[2-hydroxyethyl(methyl)amino]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70767760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).