N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-N-propan-2-ylpyrazole-3-carboxamide

C18H23N3O2 — CID 93045415

IUPACN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)N(C[C@@H]1COc2ccccc2C1)C(=O)c1ccnn1C
InChIInChI=1S/C18H23N3O2/c1-13(2)21(18(22)16-8-9-19-20(16)3)11-14-10-15-6-4-5-7-17(15)23-12-14/h4-9,13-14H,10-12H2,1-3H3/t14-/m1/s1
InChIKeyKKIVVOJVTFDJFN-CQSZACIVSA-N
MW313.40 g/mol
LogP2.52
Rot. Bonds4

About N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-N-propan-2-ylpyrazole-3-carboxamide

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-N-propan-2-ylpyrazole-3-carboxamide (PubChem CID 93045415) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-N-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-N-propan-2-ylpyrazole-3-carboxamide
PubChem CID93045415
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)N(C[C@@H]1COc2ccccc2C1)C(=O)c1ccnn1C
InChIInChI=1S/C18H23N3O2/c1-13(2)21(18(22)16-8-9-19-20(16)3)11-14-10-15-6-4-5-7-17(15)23-12-14/h4-9,13-14H,10-12H2,1-3H3/t14-/m1/s1
InChIKeyKKIVVOJVTFDJFN-CQSZACIVSA-N
XLogP2.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-N-propan-2-ylpyrazole-3-carboxamide (CID 93045415) is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-N-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-N-propan-2-ylpyrazole-3-carboxamide is CC(C)N(C[C@@H]1COc2ccccc2C1)C(=O)c1ccnn1C.
What is the InChIKey of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is KKIVVOJVTFDJFN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(2)21(18(22)16-8-9-19-20(16)3)11-14-10-15-6-4-5-7-17(15)23-12-14/h4-9,13-14H,10-12H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-N-propan-2-ylpyrazole-3-carboxamide?
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-N-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-2-methyl-N-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 93045415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).