(4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone

C16H23ClN6O2 — CID 155503654

IUPAC(4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c1Cl
InChIInChI=1S/C16H23ClN6O2/c1-10-13(17)14(20-19-10)16(24)23-5-6-25-12(9-21(2)3)15(23)11-7-18-22(4)8-11/h7-8,12,15H,5-6,9H2,1-4H3,(H,19,20)/t12-,15-/m0/s1
InChIKeyTWYPNWJYVOPYNO-WFASDCNBSA-N
MW366.85 g/mol
LogP1.25
Rot. Bonds4

About (4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone

(4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone (PubChem CID 155503654) has the molecular formula C16H23ClN6O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is (4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
PubChem CID155503654
Molecular FormulaC16H23ClN6O2
Molecular Weight366.85 g/mol
Exact Mass366.16
IUPAC Name(4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c1Cl
InChIInChI=1S/C16H23ClN6O2/c1-10-13(17)14(20-19-10)16(24)23-5-6-25-12(9-21(2)3)15(23)11-7-18-22(4)8-11/h7-8,12,15H,5-6,9H2,1-4H3,(H,19,20)/t12-,15-/m0/s1
InChIKeyTWYPNWJYVOPYNO-WFASDCNBSA-N
XLogP1.25
TPSA79.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
The IUPAC name of (4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone (CID 155503654) is (4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for (4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone is Cc1[nH]nc(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c1Cl.
What is the InChIKey of (4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
The InChIKey is TWYPNWJYVOPYNO-WFASDCNBSA-N. The full InChI is InChI=1S/C16H23ClN6O2/c1-10-13(17)14(20-19-10)16(24)23-5-6-25-12(9-21(2)3)15(23)11-7-18-22(4)8-11/h7-8,12,15H,5-6,9H2,1-4H3,(H,19,20)/t12-,15-/m0/s1.
What are the key properties of (4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone?
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone has a molecular weight of 366.85 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 155503654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).