(1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide

C19H22FN3O — CID 97131114

IUPAC(1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide
SMILESCC1(C)C[C@@]1(C(=O)NCc1n[nH]c2c1CCC2)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O/c1-18(2)11-19(18,12-6-8-13(20)9-7-12)17(24)21-10-16-14-4-3-5-15(14)22-23-16/h6-9H,3-5,10-11H2,1-2H3,(H,21,24)(H,22,23)/t19-/m0/s1
InChIKeyUUDOZBVBWMDLMQ-IBGZPJMESA-N
MW327.40 g/mol
LogP3.02
Rot. Bonds4

About (1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide

(1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 97131114) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID97131114
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name(1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide
SMILESCC1(C)C[C@@]1(C(=O)NCc1n[nH]c2c1CCC2)c1ccc(F)cc1
InChIInChI=1S/C19H22FN3O/c1-18(2)11-19(18,12-6-8-13(20)9-7-12)17(24)21-10-16-14-4-3-5-15(14)22-23-16/h6-9H,3-5,10-11H2,1-2H3,(H,21,24)(H,22,23)/t19-/m0/s1
InChIKeyUUDOZBVBWMDLMQ-IBGZPJMESA-N
XLogP3.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide (CID 97131114) is (1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide is CC1(C)C[C@@]1(C(=O)NCc1n[nH]c2c1CCC2)c1ccc(F)cc1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is UUDOZBVBWMDLMQ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22FN3O/c1-18(2)11-19(18,12-6-8-13(20)9-7-12)17(24)21-10-16-14-4-3-5-15(14)22-23-16/h6-9H,3-5,10-11H2,1-2H3,(H,21,24)(H,22,23)/t19-/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide?
(1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-2,2-dimethyl-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97131114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).