N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C20H29N3O3 — CID 60508898

IUPACN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cc(C(C)C)[nH]n2)ccc1OCC(C)C
InChIInChI=1S/C20H29N3O3/c1-12(2)11-26-18-8-7-15(9-19(18)25-6)14(5)21-20(24)17-10-16(13(3)4)22-23-17/h7-10,12-14H,11H2,1-6H3,(H,21,24)(H,22,23)
InChIKeyBUVMOPTVSIKZMU-UHFFFAOYSA-N
MW359.47 g/mol
LogP4.07
Rot. Bonds8

About N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 60508898) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID60508898
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1cc(C(C)NC(=O)c2cc(C(C)C)[nH]n2)ccc1OCC(C)C
InChIInChI=1S/C20H29N3O3/c1-12(2)11-26-18-8-7-15(9-19(18)25-6)14(5)21-20(24)17-10-16(13(3)4)22-23-17/h7-10,12-14H,11H2,1-6H3,(H,21,24)(H,22,23)
InChIKeyBUVMOPTVSIKZMU-UHFFFAOYSA-N
XLogP4.07
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-1H-pyrazole-3-carboxamide
CID 78882069
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 119294139
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
CID 119294135
4-acetamido-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
CID 51940490
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119732105
2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 55637736
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 55639036
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119732117
1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide
CID 46414979
(2S)-2-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-3,3-dimethylbutanamide
CID 119732110
4-(methoxymethyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 120623456
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 60508401

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 60508898) is N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is COc1cc(C(C)NC(=O)c2cc(C(C)C)[nH]n2)ccc1OCC(C)C.
What is the InChIKey of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is BUVMOPTVSIKZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-12(2)11-26-18-8-7-15(9-19(18)25-6)14(5)21-20(24)17-10-16(13(3)4)22-23-17/h7-10,12-14H,11H2,1-6H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 60508898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).