N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide

C13H22N4OS — CID 71990477

IUPACN-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide
SMILESCC(C)C1CN(C(=O)NCc2cnn(C)c2)CCS1
InChIInChI=1S/C13H22N4OS/c1-10(2)12-9-17(4-5-19-12)13(18)14-6-11-7-15-16(3)8-11/h7-8,10,12H,4-6,9H2,1-3H3,(H,14,18)
InChIKeyFZSXXCIDOLSQQN-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.70
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide

N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide (PubChem CID 71990477) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide
PubChem CID71990477
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide
SMILESCC(C)C1CN(C(=O)NCc2cnn(C)c2)CCS1
InChIInChI=1S/C13H22N4OS/c1-10(2)12-9-17(4-5-19-12)13(18)14-6-11-7-15-16(3)8-11/h7-8,10,12H,4-6,9H2,1-3H3,(H,14,18)
InChIKeyFZSXXCIDOLSQQN-UHFFFAOYSA-N
XLogP1.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]azepane-1-carboxamide
CID 115590808
N-[(3-ethyl-1H-pyrazol-5-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide
CID 71989929
2-[1-[(1-methylpyrazol-4-yl)methylcarbamoyl]azetidin-3-yl]acetic acid
CID 64617071
4-[(1-methylpyrazol-4-yl)methylcarbamoyl]thiomorpholine-3-carboxylic acid
CID 82905520
(2R,6R)-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-phenylmorpholine-4-carboxamide
CID 95195537
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 124616109
(2S)-2-(3-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 52516717
2,3-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]-4-oxobutanoic acid
CID 103498022
1-(3-hydroxy-4-methylpentyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 111505196
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855406
(2R)-2-amino-4-methyl-N-[(1-methylpyrazol-4-yl)methyl]pentanamide
CID 104903310

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide (CID 71990477) is N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide is CC(C)C1CN(C(=O)NCc2cnn(C)c2)CCS1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide?
The InChIKey is FZSXXCIDOLSQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-10(2)12-9-17(4-5-19-12)13(18)14-6-11-7-15-16(3)8-11/h7-8,10,12H,4-6,9H2,1-3H3,(H,14,18).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide?
N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide has a molecular weight of 282.41 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-2-propan-2-ylthiomorpholine-4-carboxamide is sourced from PubChem (CID 71990477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).