3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide

C17H20ClN3O2 — CID 95850125

IUPAC3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESCc1nn(CCC(=O)N[C@@H]2CCOc3ccccc32)c(C)c1Cl
InChIInChI=1S/C17H20ClN3O2/c1-11-17(18)12(2)21(20-11)9-7-16(22)19-14-8-10-23-15-6-4-3-5-13(14)15/h3-6,14H,7-10H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyQZBNUDHNDVPDCI-CQSZACIVSA-N
MW333.82 g/mol
LogP3.18
Rot. Bonds4

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide (PubChem CID 95850125) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide
PubChem CID95850125
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide
SMILESCc1nn(CCC(=O)N[C@@H]2CCOc3ccccc32)c(C)c1Cl
InChIInChI=1S/C17H20ClN3O2/c1-11-17(18)12(2)21(20-11)9-7-16(22)19-14-8-10-23-15-6-4-3-5-13(14)15/h3-6,14H,7-10H2,1-2H3,(H,19,22)/t14-/m1/s1
InChIKeyQZBNUDHNDVPDCI-CQSZACIVSA-N
XLogP3.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 31336256
1-benzyl-N-(3,4-dihydro-2H-chromen-4-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 47007794
4-chloro-N-(3,4-dihydro-2H-chromen-4-yl)butanamide
CID 63309102
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 39967848
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-cyclohexylpropanamide
CID 19543732
N-(3,4-dihydro-2H-chromen-4-yl)-3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 16619176
3,5-dimethyl-1-propyl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazole-4-carboxamide
CID 126789325
5-(3,4-dihydro-2H-chromen-4-ylamino)-5-oxopentanoic acid
CID 43580055
N-(3,4-dihydro-2H-chromen-4-yl)-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 17397593
2-chloro-N-[3-(3,4-dihydro-2H-chromen-4-ylamino)-3-oxopropyl]benzamide
CID 17468818
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135665164

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide?
The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide (CID 95850125) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide.
What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide?
The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide is Cc1nn(CCC(=O)N[C@@H]2CCOc3ccccc32)c(C)c1Cl.
What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide?
The InChIKey is QZBNUDHNDVPDCI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-17(18)12(2)21(20-11)9-7-16(22)19-14-8-10-23-15-6-4-3-5-13(14)15/h3-6,14H,7-10H2,1-2H3,(H,19,22)/t14-/m1/s1.
What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide?
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide has a molecular weight of 333.82 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]propanamide is sourced from PubChem (CID 95850125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).