(2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide

C17H23N5O2 — CID 95156985

IUPAC(2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide
SMILESC[C@@H](NC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H23N5O2/c1-12(15(23)20-17(2,3)4)18-16(24)19-14-10-11-22(21-14)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,20,23)(H2,18,19,21,24)/t12-/m1/s1
InChIKeyGRENFIFKBWQGAJ-GFCCVEGCSA-N
MW329.40 g/mol
LogP2.30
Rot. Bonds4

About (2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide

(2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide (PubChem CID 95156985) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide.

Molecular Properties

Compound Name(2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide
PubChem CID95156985
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide
SMILESC[C@@H](NC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H23N5O2/c1-12(15(23)20-17(2,3)4)18-16(24)19-14-10-11-22(21-14)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,20,23)(H2,18,19,21,24)/t12-/m1/s1
InChIKeyGRENFIFKBWQGAJ-GFCCVEGCSA-N
XLogP2.30
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2R)-butan-2-yl]-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide
CID 95239242
3-methyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 110470740
1-[(1R)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(1-phenylpyrazol-3-yl)urea
CID 51728018
(2S)-2-[(1-benzyl-1,2,4-triazol-3-yl)carbamoylamino]-N-tert-butylpropanamide
CID 95597485
2-[(1-benzyl-1,2,4-triazol-3-yl)carbamoylamino]-N-tert-butylpropanamide
CID 56823510
2-amino-N-(1-phenylpyrazol-3-yl)pentanamide;hydrochloride
CID 119278205
2-(4-bromophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide
CID 55547798
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 47798363
(2S)-2-amino-4-methylsulfanyl-N-(1-phenylpyrazol-3-yl)butanamide
CID 119278200
methyl 3-(3,4-dimethoxyphenyl)-3-[(1-phenylpyrazol-3-yl)carbamoylamino]propanoate
CID 47032953
N-tert-butyl-2-[(1-methylpyrazol-3-yl)amino]propanamide
CID 112723454
phenyl N-(1-phenylpyrazol-3-yl)carbamate
CID 110472459

Frequently Asked Questions

What is the IUPAC name of (2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide?
The IUPAC name of (2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide (CID 95156985) is (2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide.
What is the SMILES notation for (2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide?
The canonical SMILES for (2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide is C[C@@H](NC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)NC(C)(C)C.
What is the InChIKey of (2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide?
The InChIKey is GRENFIFKBWQGAJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(15(23)20-17(2,3)4)18-16(24)19-14-10-11-22(21-14)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,20,23)(H2,18,19,21,24)/t12-/m1/s1.
What are the key properties of (2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide?
(2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide has a molecular weight of 329.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-tert-butyl-2-[(1-phenylpyrazol-3-yl)carbamoylamino]propanamide is sourced from PubChem (CID 95156985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).