N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide

C15H17FN4O3 — CID 142995117

IUPACN-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide
SMILESC=C(F)/C=C\C(=C/C)NC(=O)c1[nH]ncc1NC(=O)C1(O)CC1
InChIInChI=1S/C15H17FN4O3/c1-3-10(5-4-9(2)16)18-13(21)12-11(8-17-20-12)19-14(22)15(23)6-7-15/h3-5,8,23H,2,6-7H2,1H3,(H,17,20)(H,18,21)(H,19,22)/b5-4-,10-3+
InChIKeyXHBKQCBVTFHWDD-MZTCIMCMSA-N
MW320.32 g/mol
LogP1.55
Rot. Bonds6

About N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide

N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 142995117) has the molecular formula C15H17FN4O3 and a molecular weight of 320.32 g/mol. Its IUPAC name is N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID142995117
Molecular FormulaC15H17FN4O3
Molecular Weight320.32 g/mol
Exact Mass320.13
IUPAC NameN-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide
SMILESC=C(F)/C=C\C(=C/C)NC(=O)c1[nH]ncc1NC(=O)C1(O)CC1
InChIInChI=1S/C15H17FN4O3/c1-3-10(5-4-9(2)16)18-13(21)12-11(8-17-20-12)19-14(22)15(23)6-7-15/h3-5,8,23H,2,6-7H2,1H3,(H,17,20)(H,18,21)(H,19,22)/b5-4-,10-3+
InChIKeyXHBKQCBVTFHWDD-MZTCIMCMSA-N
XLogP1.55
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide (CID 142995117) is N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide is C=C(F)/C=C\C(=C/C)NC(=O)c1[nH]ncc1NC(=O)C1(O)CC1.
What is the InChIKey of N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is XHBKQCBVTFHWDD-MZTCIMCMSA-N. The full InChI is InChI=1S/C15H17FN4O3/c1-3-10(5-4-9(2)16)18-13(21)12-11(8-17-20-12)19-14(22)15(23)6-7-15/h3-5,8,23H,2,6-7H2,1H3,(H,17,20)(H,18,21)(H,19,22)/b5-4-,10-3+.
What are the key properties of N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide?
N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 320.32 g/mol, XLogP of 1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-4-[(1-hydroxycyclopropanecarbonyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 142995117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).