(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone

C14H17ClN4O2 — CID 97090713

IUPAC(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCn1cc([C@]2(C)CN(C(=O)c3cc(Cl)c[nH]3)CCO2)cn1
InChIInChI=1S/C14H17ClN4O2/c1-14(10-6-17-18(2)8-10)9-19(3-4-21-14)13(20)12-5-11(15)7-16-12/h5-8,16H,3-4,9H2,1-2H3/t14-/m0/s1
InChIKeyDFKXPFIVJOVDHS-AWEZNQCLSA-N
MW308.77 g/mol
LogP1.79
Rot. Bonds2

About (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone

(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone (PubChem CID 97090713) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
PubChem CID97090713
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCn1cc([C@]2(C)CN(C(=O)c3cc(Cl)c[nH]3)CCO2)cn1
InChIInChI=1S/C14H17ClN4O2/c1-14(10-6-17-18(2)8-10)9-19(3-4-21-14)13(20)12-5-11(15)7-16-12/h5-8,16H,3-4,9H2,1-2H3/t14-/m0/s1
InChIKeyDFKXPFIVJOVDHS-AWEZNQCLSA-N
XLogP1.79
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone (CID 97090713) is (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone is Cn1cc([C@]2(C)CN(C(=O)c3cc(Cl)c[nH]3)CCO2)cn1.
What is the InChIKey of (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
The InChIKey is DFKXPFIVJOVDHS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-14(10-6-17-18(2)8-10)9-19(3-4-21-14)13(20)12-5-11(15)7-16-12/h5-8,16H,3-4,9H2,1-2H3/t14-/m0/s1.
What are the key properties of (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone has a molecular weight of 308.77 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-pyrrol-2-yl)-[(2R)-2-methyl-2-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 97090713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).