N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-(propan-2-ylamino)-1H-pyrazole-5-carboxamide

C14H19FN4O — CID 143263914

IUPACN-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-(propan-2-ylamino)-1H-pyrazole-5-carboxamide
SMILESC=C(/C=C\C(F)=C/C)NC(=O)c1[nH]ncc1NC(C)C
InChIInChI=1S/C14H19FN4O/c1-5-11(15)7-6-10(4)18-14(20)13-12(8-16-19-13)17-9(2)3/h5-9,17H,4H2,1-3H3,(H,16,19)(H,18,20)/b7-6-,11-5+
InChIKeyCATNNKGOKCJNBY-TUKAJDRUSA-N
MW278.33 g/mol
LogP2.90
Rot. Bonds6

About N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-(propan-2-ylamino)-1H-pyrazole-5-carboxamide

N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-(propan-2-ylamino)-1H-pyrazole-5-carboxamide (PubChem CID 143263914) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-(propan-2-ylamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-(propan-2-ylamino)-1H-pyrazole-5-carboxamide
PubChem CID143263914
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC NameN-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-(propan-2-ylamino)-1H-pyrazole-5-carboxamide
SMILESC=C(/C=C\C(F)=C/C)NC(=O)c1[nH]ncc1NC(C)C
InChIInChI=1S/C14H19FN4O/c1-5-11(15)7-6-10(4)18-14(20)13-12(8-16-19-13)17-9(2)3/h5-9,17H,4H2,1-3H3,(H,16,19)(H,18,20)/b7-6-,11-5+
InChIKeyCATNNKGOKCJNBY-TUKAJDRUSA-N
XLogP2.90
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-(propan-2-ylamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-(propan-2-ylamino)-1H-pyrazole-5-carboxamide (CID 143263914) is N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-(propan-2-ylamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-(propan-2-ylamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-(propan-2-ylamino)-1H-pyrazole-5-carboxamide is C=C(/C=C\C(F)=C/C)NC(=O)c1[nH]ncc1NC(C)C.
What is the InChIKey of N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-(propan-2-ylamino)-1H-pyrazole-5-carboxamide?
The InChIKey is CATNNKGOKCJNBY-TUKAJDRUSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-5-11(15)7-6-10(4)18-14(20)13-12(8-16-19-13)17-9(2)3/h5-9,17H,4H2,1-3H3,(H,16,19)(H,18,20)/b7-6-,11-5+.
What are the key properties of N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-(propan-2-ylamino)-1H-pyrazole-5-carboxamide?
N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-(propan-2-ylamino)-1H-pyrazole-5-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]-4-(propan-2-ylamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 143263914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).