propyl N-[5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidoyl]carbamate

C19H19F3N6O2 — CID 170680043

IUPACpropyl N-[5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidoyl]carbamate
SMILES[H]/N=C(\NC(=O)OCCC)c1cnn2ccc(N[C@H](C)c3cc(F)cc(F)c3F)nc12
InChIInChI=1S/C19H19F3N6O2/c1-3-6-30-19(29)27-17(23)13-9-24-28-5-4-15(26-18(13)28)25-10(2)12-7-11(20)8-14(21)16(12)22/h4-5,7-10H,3,6H2,1-2H3,(H,25,26)(H2,23,27,29)/t10-/m1/s1
InChIKeyNRFLPOVNIIJIDX-SNVBAGLBSA-N
MW420.40 g/mol
LogP3.78
Rot. Bonds6

About propyl N-[5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidoyl]carbamate

propyl N-[5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidoyl]carbamate (PubChem CID 170680043) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is propyl N-[5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidoyl]carbamate.

Molecular Properties

Compound Namepropyl N-[5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidoyl]carbamate
PubChem CID170680043
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC Namepropyl N-[5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidoyl]carbamate
SMILES[H]/N=C(\NC(=O)OCCC)c1cnn2ccc(N[C@H](C)c3cc(F)cc(F)c3F)nc12
InChIInChI=1S/C19H19F3N6O2/c1-3-6-30-19(29)27-17(23)13-9-24-28-5-4-15(26-18(13)28)25-10(2)12-7-11(20)8-14(21)16(12)22/h4-5,7-10H,3,6H2,1-2H3,(H,25,26)(H2,23,27,29)/t10-/m1/s1
InChIKeyNRFLPOVNIIJIDX-SNVBAGLBSA-N
XLogP3.78
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl N-[5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidoyl]carbamate?
The IUPAC name of propyl N-[5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidoyl]carbamate (CID 170680043) is propyl N-[5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidoyl]carbamate.
What is the SMILES notation for propyl N-[5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidoyl]carbamate?
The canonical SMILES for propyl N-[5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidoyl]carbamate is [H]/N=C(\NC(=O)OCCC)c1cnn2ccc(N[C@H](C)c3cc(F)cc(F)c3F)nc12.
What is the InChIKey of propyl N-[5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidoyl]carbamate?
The InChIKey is NRFLPOVNIIJIDX-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-3-6-30-19(29)27-17(23)13-9-24-28-5-4-15(26-18(13)28)25-10(2)12-7-11(20)8-14(21)16(12)22/h4-5,7-10H,3,6H2,1-2H3,(H,25,26)(H2,23,27,29)/t10-/m1/s1.
What are the key properties of propyl N-[5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidoyl]carbamate?
propyl N-[5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidoyl]carbamate has a molecular weight of 420.40 g/mol, XLogP of 3.78, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[5-[[(1R)-1-(2,3,5-trifluorophenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboximidoyl]carbamate is sourced from PubChem (CID 170680043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).