N-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide

C14H22F3N5O2 — CID 71976482

IUPACN-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
SMILESCOCCn1ccc(NC(=O)N2CCN(C(C)C(F)(F)F)CC2)n1
InChIInChI=1S/C14H22F3N5O2/c1-11(14(15,16)17)20-5-7-21(8-6-20)13(23)18-12-3-4-22(19-12)9-10-24-2/h3-4,11H,5-10H2,1-2H3,(H,18,19,23)
InChIKeyXGJFWDFAHQNUPN-UHFFFAOYSA-N
MW349.36 g/mol
LogP1.63
Rot. Bonds5

About N-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide

N-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide (PubChem CID 71976482) has the molecular formula C14H22F3N5O2 and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
PubChem CID71976482
Molecular FormulaC14H22F3N5O2
Molecular Weight349.36 g/mol
Exact Mass349.17
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
SMILESCOCCn1ccc(NC(=O)N2CCN(C(C)C(F)(F)F)CC2)n1
InChIInChI=1S/C14H22F3N5O2/c1-11(14(15,16)17)20-5-7-21(8-6-20)13(23)18-12-3-4-22(19-12)9-10-24-2/h3-4,11H,5-10H2,1-2H3,(H,18,19,23)
InChIKeyXGJFWDFAHQNUPN-UHFFFAOYSA-N
XLogP1.63
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 53532059
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CID 53590617
1-[1-(3-Methoxypropyl)pyrazol-3-yl]-3-propylurea
CID 72008027
N-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
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N-[1-(2-methoxyethyl)pyrazol-3-yl]-2-[methyl(propan-2-yl)amino]acetamide
CID 53560007
1-[1-[2-(Dimethylamino)ethyl]pyrazol-3-yl]-3-pentan-3-ylurea
CID 56795480
1-Ethyl-3-[1-(3-methoxypropyl)pyrazol-3-yl]-1-(2-methylprop-2-enyl)urea
CID 72008001
1-Tert-butyl-3-[1-(3-methoxypropyl)pyrazol-3-yl]urea
CID 72101341
3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide
CID 86800086
(2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide
CID 86800094
4-(2,2-difluoroethyl)-N-(2-methylpyrazol-3-yl)-1,4-diazepane-1-carboxamide
CID 86800099
N~2~-(2-methoxyethyl)-N~1~-(1-methyl-1H-pyrazol-3-yl)-N~2~-propylglycinamide
CID 91831029

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide (CID 71976482) is N-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide is COCCn1ccc(NC(=O)N2CCN(C(C)C(F)(F)F)CC2)n1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
The InChIKey is XGJFWDFAHQNUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N5O2/c1-11(14(15,16)17)20-5-7-21(8-6-20)13(23)18-12-3-4-22(19-12)9-10-24-2/h3-4,11H,5-10H2,1-2H3,(H,18,19,23).
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide?
N-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-3-yl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 71976482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).