N-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide

C14H25N3O2 — CID 97219842

IUPACN-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
SMILESCCN(C(=O)c1cc(C(C)C)n(C)n1)[C@@H](C)COC
InChIInChI=1S/C14H25N3O2/c1-7-17(11(4)9-19-6)14(18)12-8-13(10(2)3)16(5)15-12/h8,10-11H,7,9H2,1-6H3/t11-/m0/s1
InChIKeyNFCRPSAPVBGKJB-NSHDSACASA-N
MW267.37 g/mol
LogP2.04
Rot. Bonds6

About N-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide

N-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 97219842) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID97219842
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
SMILESCCN(C(=O)c1cc(C(C)C)n(C)n1)[C@@H](C)COC
InChIInChI=1S/C14H25N3O2/c1-7-17(11(4)9-19-6)14(18)12-8-13(10(2)3)16(5)15-12/h8,10-11H,7,9H2,1-6H3/t11-/m0/s1
InChIKeyNFCRPSAPVBGKJB-NSHDSACASA-N
XLogP2.04
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide (CID 97219842) is N-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide is CCN(C(=O)c1cc(C(C)C)n(C)n1)[C@@H](C)COC.
What is the InChIKey of N-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is NFCRPSAPVBGKJB-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O2/c1-7-17(11(4)9-19-6)14(18)12-8-13(10(2)3)16(5)15-12/h8,10-11H,7,9H2,1-6H3/t11-/m0/s1.
What are the key properties of N-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide?
N-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 97219842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).