5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide

C18H26F2N4O — CID 118433286

IUPAC5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NCC1CC1
InChIInChI=1S/C18H26F2N4O/c1-24-16(13-8-14(13)21-10-11-2-3-11)9-15(23-24)17(25)22-12-4-6-18(19,20)7-5-12/h9,11-14,21H,2-8,10H2,1H3,(H,22,25)
InChIKeyWIAULLQEFYHESU-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.58
Rot. Bonds6

About 5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide

5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide (PubChem CID 118433286) has the molecular formula C18H26F2N4O and a molecular weight of 352.43 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
PubChem CID118433286
Molecular FormulaC18H26F2N4O
Molecular Weight352.43 g/mol
Exact Mass352.21
IUPAC Name5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NCC1CC1
InChIInChI=1S/C18H26F2N4O/c1-24-16(13-8-14(13)21-10-11-2-3-11)9-15(23-24)17(25)22-12-4-6-18(19,20)7-5-12/h9,11-14,21H,2-8,10H2,1H3,(H,22,25)
InChIKeyWIAULLQEFYHESU-UHFFFAOYSA-N
XLogP2.58
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide (CID 118433286) is 5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NC2CCC(F)(F)CC2)cc1C1CC1NCC1CC1.
What is the InChIKey of 5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is WIAULLQEFYHESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N4O/c1-24-16(13-8-14(13)21-10-11-2-3-11)9-15(23-24)17(25)22-12-4-6-18(19,20)7-5-12/h9,11-14,21H,2-8,10H2,1H3,(H,22,25).
What are the key properties of 5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide?
5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethylamino)cyclopropyl]-N-(4,4-difluorocyclohexyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118433286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).