N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

C15H18F6N4O5 — CID 118745557

IUPACN-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(NCC1CC1)c1n[nH]c2c1CNCC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C11H16N4O.2C2HF3O2/c16-11(13-5-7-1-2-7)10-8-6-12-4-3-9(8)14-15-10;2*3-2(4,5)1(6)7/h7,12H,1-6H2,(H,13,16)(H,14,15);2*(H,6,7)
InChIKeyZRYPPMFIESRIAL-UHFFFAOYSA-N
MW448.32 g/mol
LogP1.46
Rot. Bonds3

About N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)

N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118745557) has the molecular formula C15H18F6N4O5 and a molecular weight of 448.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID118745557
Molecular FormulaC15H18F6N4O5
Molecular Weight448.32 g/mol
Exact Mass448.12
IUPAC NameN-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(NCC1CC1)c1n[nH]c2c1CNCC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C11H16N4O.2C2HF3O2/c16-11(13-5-7-1-2-7)10-8-6-12-4-3-9(8)14-15-10;2*3-2(4,5)1(6)7/h7,12H,1-6H2,(H,13,16)(H,14,15);2*(H,6,7)
InChIKeyZRYPPMFIESRIAL-UHFFFAOYSA-N
XLogP1.46
TPSA144.41 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.32
LogP ≤ 51.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) (CID 118745557) is N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is O=C(NCC1CC1)c1n[nH]c2c1CNCC2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is ZRYPPMFIESRIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O.2C2HF3O2/c16-11(13-5-7-1-2-7)10-8-6-12-4-3-9(8)14-15-10;2*3-2(4,5)1(6)7/h7,12H,1-6H2,(H,13,16)(H,14,15);2*(H,6,7).
What are the key properties of N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)?
N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 448.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118745557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).