N-(4-tert-butylcyclohexyl)-4-(3-fluorobut-3-enoylamino)-1H-pyrazole-5-carboxamide

C18H27FN4O2 — CID 143263577

IUPACN-(4-tert-butylcyclohexyl)-4-(3-fluorobut-3-enoylamino)-1H-pyrazole-5-carboxamide
SMILESC=C(F)CC(=O)Nc1cn[nH]c1C(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H27FN4O2/c1-11(19)9-15(24)22-14-10-20-23-16(14)17(25)21-13-7-5-12(6-8-13)18(2,3)4/h10,12-13H,1,5-9H2,2-4H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyZBWLQNNYEOQSBT-UHFFFAOYSA-N
MW350.44 g/mol
LogP3.56
Rot. Bonds5

About N-(4-tert-butylcyclohexyl)-4-(3-fluorobut-3-enoylamino)-1H-pyrazole-5-carboxamide

N-(4-tert-butylcyclohexyl)-4-(3-fluorobut-3-enoylamino)-1H-pyrazole-5-carboxamide (PubChem CID 143263577) has the molecular formula C18H27FN4O2 and a molecular weight of 350.44 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-4-(3-fluorobut-3-enoylamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-4-(3-fluorobut-3-enoylamino)-1H-pyrazole-5-carboxamide
PubChem CID143263577
Molecular FormulaC18H27FN4O2
Molecular Weight350.44 g/mol
Exact Mass350.21
IUPAC NameN-(4-tert-butylcyclohexyl)-4-(3-fluorobut-3-enoylamino)-1H-pyrazole-5-carboxamide
SMILESC=C(F)CC(=O)Nc1cn[nH]c1C(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H27FN4O2/c1-11(19)9-15(24)22-14-10-20-23-16(14)17(25)21-13-7-5-12(6-8-13)18(2,3)4/h10,12-13H,1,5-9H2,2-4H3,(H,20,23)(H,21,25)(H,22,24)
InChIKeyZBWLQNNYEOQSBT-UHFFFAOYSA-N
XLogP3.56
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcyclohexyl)-4-(3-fluorobut-3-enoylamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-4-(3-fluorobut-3-enoylamino)-1H-pyrazole-5-carboxamide (CID 143263577) is N-(4-tert-butylcyclohexyl)-4-(3-fluorobut-3-enoylamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-4-(3-fluorobut-3-enoylamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-4-(3-fluorobut-3-enoylamino)-1H-pyrazole-5-carboxamide is C=C(F)CC(=O)Nc1cn[nH]c1C(=O)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-4-(3-fluorobut-3-enoylamino)-1H-pyrazole-5-carboxamide?
The InChIKey is ZBWLQNNYEOQSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O2/c1-11(19)9-15(24)22-14-10-20-23-16(14)17(25)21-13-7-5-12(6-8-13)18(2,3)4/h10,12-13H,1,5-9H2,2-4H3,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of N-(4-tert-butylcyclohexyl)-4-(3-fluorobut-3-enoylamino)-1H-pyrazole-5-carboxamide?
N-(4-tert-butylcyclohexyl)-4-(3-fluorobut-3-enoylamino)-1H-pyrazole-5-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-4-(3-fluorobut-3-enoylamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 143263577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).