N-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide

C17H23FN4O — CID 124618010

IUPACN-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide
SMILESCn1cc([C@H](NCC(=O)NC(C)(C)C)c2ccc(F)cc2)cn1
InChIInChI=1S/C17H23FN4O/c1-17(2,3)21-15(23)10-19-16(13-9-20-22(4)11-13)12-5-7-14(18)8-6-12/h5-9,11,16,19H,10H2,1-4H3,(H,21,23)/t16-/m1/s1
InChIKeyWTDOOQPGUXKWNL-MRXNPFEDSA-N
MW318.40 g/mol
LogP2.15
Rot. Bonds5

About N-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide

N-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide (PubChem CID 124618010) has the molecular formula C17H23FN4O and a molecular weight of 318.40 g/mol. Its IUPAC name is N-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide
PubChem CID124618010
Molecular FormulaC17H23FN4O
Molecular Weight318.40 g/mol
Exact Mass318.19
IUPAC NameN-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide
SMILESCn1cc([C@H](NCC(=O)NC(C)(C)C)c2ccc(F)cc2)cn1
InChIInChI=1S/C17H23FN4O/c1-17(2,3)21-15(23)10-19-16(13-9-20-22(4)11-13)12-5-7-14(18)8-6-12/h5-9,11,16,19H,10H2,1-4H3,(H,21,23)/t16-/m1/s1
InChIKeyWTDOOQPGUXKWNL-MRXNPFEDSA-N
XLogP2.15
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
CID 115356216
(1R,2R,3S,4S)-3-[[(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 166323380
(1R)-N-(2H-chromen-3-ylmethyl)-1-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)methanamine
CID 124619534
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 107288998
(2R)-1-[[(R)-(4-fluorophenyl)-(furan-2-yl)methyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99854332
2-(benzhydrylamino)-N-[1-(4-fluorophenyl)ethyl]acetamide;oxalic acid
CID 42913580
(1R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)methanamine
CID 124619528
3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 45147216
N-[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]furan-2-sulfonamide
CID 124620906
2-(tert-butylcarbamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288293
2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 97307325
N-(tert-butylcarbamoyl)-2-[[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]amino]acetamide
CID 8720043

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide (CID 124618010) is N-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide is Cn1cc([C@H](NCC(=O)NC(C)(C)C)c2ccc(F)cc2)cn1.
What is the InChIKey of N-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The InChIKey is WTDOOQPGUXKWNL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23FN4O/c1-17(2,3)21-15(23)10-19-16(13-9-20-22(4)11-13)12-5-7-14(18)8-6-12/h5-9,11,16,19H,10H2,1-4H3,(H,21,23)/t16-/m1/s1.
What are the key properties of N-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide?
N-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide has a molecular weight of 318.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(R)-(4-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 124618010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).